diff --git a/New_libraries/Makefile b/New_libraries/Makefile
deleted file mode 100644
index 79a5250..0000000
--- a/New_libraries/Makefile
+++ /dev/null
@@ -1,243 +0,0 @@
-#
-# Makefile for the MsSpec-DFM epsilon.f90 program
-#
-# by S. Tricot and D. Sébilleau
-#
-# Last version: 21 Apr 2021
-#
-# Compiler
-#
-FC=gfortran
-#
-# Compile flags
-#
-#FFLAGS=
-FFLAGS=-g -fbounds-check -fbacktrace -ffpe-trap=zero,overflow,underflow,invalid,denormal
-#FFLAGS=-ffast-math -O3
-#
-# Link flags
-#
-LDFLAGS=
-LDLIBS=
-#
-# Executable name
-#
-EXE=eps
-#
-# Building directory
-#
-BUILDDIR:=build2
-
-.PHONY: clean
-
-cmn_DEPS:=DFM_library/ACCURACY_LIBRARY/accuracy.f90 \
- DFM_library/INPUT_OUTPUT_LIBRARY/input_values.f90 \
- DFM_library/DIMENSIONS_LIBRARY/dimensions.f90 \
- DFM_library/UTILITIES_LIBRARY/simple_numbers.f90 \
- DFM_library/UTILITIES_LIBRARY/powers_of_ten.f90 \
- DFM_library/UTILITIES_LIBRARY/mathematical_constants.f90 \
- DFM_library/UTILITIES_LIBRARY/physical_constants.f90 \
- DFM_library/UTILITIES_LIBRARY/factorials.f90 \
- DFM_library/ERROR_HANDLING_LIBRARY/error_caltech.f90 \
- DFM_library/PRINT_LIBRARY/printfiles.f90 \
- DFM_library/STRUCTURE_FACTOR_LIBRARY/utic_values.f90 \
- DFM_library/DAMPING_LIBRARY/external_damping.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/Fermi_values.f90
-cmn_OBJS:=$(patsubst %.f90,%.o, $(cmn_DEPS))
-
-tool_SRCS:=$(cmn_DEPS) \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/external_functions.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/Lindhard_function.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/gamma.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/digamma.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/2F1_real.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/mod_mlf_garrappa.f90 \
- DFM_library/UTILITIES_LIBRARY/derivation.f90 \
- DFM_library/UTILITIES_LIBRARY/smoothing.f90 \
- DFM_library/UTILITIES_LIBRARY/interpolation.f90 \
- DFM_library/UTILITIES_LIBRARY/integration.f90 \
- DFM_library/UTILITIES_LIBRARY/integration4.f90 \
- DFM_library/UTILITIES_LIBRARY/transforms.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/basic_functions.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/bessel.f90
-util_SRCS:=$(cmn_DEPS) \
- DFM_library/UTILITIES_LIBRARY/utilities_1.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_1.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_4.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_6.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_7.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_8.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_9.f90 \
- DFM_library/UTILITIES_LIBRARY/find_zero.f90 \
- DFM_library/UTILITIES_LIBRARY/polynomial_equations.f90
-prop_SRCS:=$(cmn_DEPS) \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/calc_Fermi.f90 \
- DFM_library/PLASMON_LIBRARY/plasmon_ene.f90 \
- DFM_library/SCALE_PARAMETERS_LIBRARY/scale_parameters.f90 \
- DFM_library/ENERGIES_LIBRARY/correlation_energies.f90 \
- DFM_library/ENERGIES_LIBRARY/delta_t.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/thermodynamic_properties.f90 \
- DFM_library/SCREENING_LIBRARY/screening_vec1.f90 \
- DFM_library/CONFINEMENT_LIBRARY/confinement_ff.f90 \
- DFM_library/CONFINEMENT_LIBRARY/coulomb.f90 \
- DFM_library/UTILITIES_LIBRARY/utilities_3.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/material_properties.f90 \
- DFM_library/THERMAL_PROPERTIES_LIBRARY/thermal_properties.f90 \
- DFM_library/ENERGIES_LIBRARY/xc_energies.f90 \
- DFM_library/ENERGIES_LIBRARY/exchange_energies.f90 \
- DFM_library/ENERGIES_LIBRARY/kinetic_energies.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/thermodynamic_quantities.f90 \
- DFM_library/THERMAL_PROPERTIES_LIBRARY/chemical_potential.f90 \
- DFM_library/UTILITIES_LIBRARY/utilities_4.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/calc_energies.f90
-#
-# Read input data file:
-#
-read_SRCS:=DFM_library/INPUT_OUTPUT_LIBRARY/read_data.f90
-read_OBJS:=$(patsubst %.f90,%.o, $(tool_SRCS) $(util_SRCS) $(prop_SRCS) $(read_SRCS))
-
-io_SRCS:=DFM_library/INPUT_OUTPUT_LIBRARY/filenames.f90 \
- DFM_library/INPUT_OUTPUT_LIBRARY/outfiles.f90 \
- DFM_library/INPUT_OUTPUT_LIBRARY/change_filenames.f90 \
- DFM_library/INPUT_OUTPUT_LIBRARY/store_coef.f90 \
- DFM_library/INPUT_OUTPUT_LIBRARY/open_files.f90 \
- DFM_library/PRINT_LIBRARY/print_headers.f90 \
- DFM_library/PRINT_LIBRARY/print_calc_type.f90 \
- DFM_library/PRINT_LIBRARY/print_Fermi.f90 \
- DFM_library/PRINT_LIBRARY/print_plasmons.f90 \
- DFM_library/PRINT_LIBRARY/print_scale_param.f90 \
- DFM_library/PRINT_LIBRARY/print_material_lengths.f90 \
- DFM_library/PRINT_LIBRARY/print_thermal.f90 \
- DFM_library/PRINT_LIBRARY/print_thermodynamics.f90 \
- DFM_library/PRINT_LIBRARY/print_energies.f90 \
- DFM_library/INPUT_OUTPUT_LIBRARY/close_files.f90
-io_OBJS:=$(patsubst %.f90,%.o, $(io_SRCS))
-
-calc_DEPS:=$(cmn_DEPS) \
- DFM_library/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_static.f90 \
- DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90 \
- DFM_library/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90 \
- DFM_library/CONFINEMENT_LIBRARY/confinement_wf.f90 \
- DFM_library/LOCAL_FIELD_LIBRARY/iq_functions_1.f90 \
- DFM_library/MOMENTS_LIBRARY/loss_moments.f90 \
- DFM_library/PAIR_DISTRIBUTION_FUNCTION/pair_distribution.f90 \
- DFM_library/PAIR_CORRELATION_LIBRARY/pair_correlation.f90 \
- DFM_library/STRUCTURE_FACTOR_LIBRARY/structure_factor_static.f90 \
- DFM_library/LOCAL_FIELD_LIBRARY/iq_functions_2.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_2.f90 \
- DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90 \
- DFM_library/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90 \
- DFM_library/LOCAL_FIELD_LIBRARY/local_field_static.f90 \
- DFM_library/LOCAL_FIELD_LIBRARY/local_field_static_2.f90 \
- DFM_library/STRUCTURE_FACTOR_LIBRARY/structure_factor_static_2.f90 \
- DFM_library/NEVANLINNA_FUNCTIONS_LIBRARY/Nevanlinna_functions.f90 \
- DFM_library/MEMORY_FUNCTIONS_LIBRARY/memory_functions.f90 \
- DFM_library/SCREENING_LIBRARY/screening_vec2.f90 \
- DFM_library/UTILITIES_LIBRARY/velocities.f90 \
- DFM_library/SCALE_PARAMETERS_LIBRARY/scale_parameters.f90 \
- DFM_library/MOMENTS_LIBRARY/moments.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_3.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_10.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/coulomb_log.f90 \
- DFM_library/DAMPING_LIBRARY/packing_fraction.f90 \
- DFM_library/DAMPING_LIBRARY/classical_fluid.f90 \
- DFM_library/DAMPING_LIBRARY/diffusion_coefficient.f90 \
- DFM_library/DAMPING_LIBRARY/electron_phonon_int.f90 \
- DFM_library/DAMPING_LIBRARY/scattering_length.f90 \
- DFM_library/DAMPING_LIBRARY/lifetime.f90 \
- DFM_library/DAMPING_LIBRARY/viscosity.f90 \
- DFM_library/DAMPING_LIBRARY/relaxation_time_static.f90 \
- DFM_library/UTILITIES_LIBRARY/utic_parameters.f90 \
- DFM_library/DAMPING_LIBRARY/decay_rate.f90 \
- DFM_library/DAMPING_LIBRARY/calc_damping.f90 \
- DFM_library/DAMPING_LIBRARY/diffusion_coefficient_2.f90 \
- DFM_library/PLASMON_LIBRARY/plasmon_dispersion.f90 \
- DFM_library/PLASMON_LIBRARY/q_bounds.f90 \
- DFM_library/DAMPING_LIBRARY/plasmon_damping.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/calc_energies.f90 \
- DFM_library/PHYSICAL_PROPERTIES_LIBRARY/grand_partition.f90 \
- DFM_library/UTILITIES_LIBRARY/utilities_2.f90 \
- DFM_library/LANDAU_PARAMETERS_LIBRARY/landau.f90 \
- DFM_library/VARIOUS_FUNCTIONS_LIBRARY/phi_function.f90 \
- DFM_library/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_stan_dynamic.f90 \
- DFM_library/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_magn_dynamic.f90 \
- DFM_library/DIELECTRIC_FUNCTIONS_LIBRARY/dfunct_dynamic.f90 \
- DFM_library/STRUCTURE_FACTOR_LIBRARY/structure_factor_dynamic_2.f90 \
- DFM_library/INTERACTION_POTENTIALS_LIBRARY/interaction_potentials_r.f90 \
- DFM_library/INTERACTION_POTENTIALS_LIBRARY/interaction_potentials_k.f90 \
- DFM_library/DAMPING_LIBRARY/decay_rate.f90 \
- DFM_library/STRUCTURE_FACTOR_LIBRARY/structure_factor_dynamic.f90 \
- DFM_library/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_stan_dynamic_2.f90 \
- DFM_library/DAMPING_LIBRARY/mean_free_path.f90 \
- DFM_library/SPECTRAL_FUNCTION_LIBRARY/spectral_function.f90 \
- DFM_library/LOCAL_FIELD_LIBRARY/local_field_dynamic.f90 \
- DFM_library/PRINT_LIBRARY/print_asymptotic.f90 \
- DFM_library/POST_PROCESSING_LIBRARY/re_eps_0_treatment.f90 \
- DFM_library/MOMENTS_LIBRARY/moments_loss.f90 \
- DFM_library/SPECIFIC_INTEGRALS_LIBRARY/specific_int_5.f90
-#
-# Calculators:
-#
-calc_SRCS:=DFM_library/CALCULATORS_LIBRARY/calculators_1.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_2.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_3.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_5.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_7.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_8.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_9.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_1.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_2.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_3.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_5.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_7.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_8.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_9.f90
-#
-# Test_integrals:
-#
-calc_TEST:=DFM_library/TEST_LIBRARY/test_integrals_2.f90 \
- DFM_library/TEST_LIBRARY/test_integrals_3.f90 \
- DFM_library/TEST_LIBRARY/test_integrals_8.f90 \
- DFM_library/TEST_LIBRARY/test_int_Hubbard.f90
-#
-# Post-processing:
-#
-calc_POST:=DFM_library/PLASMON_LIBRARY/plasmon_dispersion_2.f90 \
- DFM_library/CALCULATORS_LIBRARY/calculators_p.f90 \
- DFM_library/CALCULATORS_LIBRARY/call_calc_p.f90
-
-calc_OBJS:=$(patsubst %.f90,%.o, $(calc_DEPS) $(calc_SRCS) $(calc_TEST) $(calc_POST))
-
-
-
-SRCS:= $(patsubst %.o,%.f90,$(read_OBJS) $(io_OBJS) $(calc_OBJS))
-OBJS:= $(addprefix $(BUILDDIR)/,$(notdir $(read_OBJS) $(io_OBJS) $(calc_OBJS)))
-
-
-all: obj $(EXE)
-
-
-obj: src $(OBJS)
-
-
-$(EXE): $(OBJS) $(BUILDDIR)/epsilon.f90
- @echo "building main $@..."
- @$(FC) $(FFLAGS) $(LDFLAGS) $(LDLIBS) -J $(BUILDDIR) -o $@ $^
-
-
-%.o: %.f90
- @echo "Compiling $@..."
- @$(FC) $(FFLAGS) -J $(BUILDDIR) -I. -o $@ -c $^
-
-
-src: $(SRCS) epsilon.f90
- @echo "updating source tree..."
- @mkdir -p $(BUILDDIR)
- @rsync -av $^ $(BUILDDIR)
-
-
-clean:
- @echo "Cleaning..."
- @rm -rf $(BUILDDIR)
- @rm -rf $(EXE)
-
diff --git a/src/Makefile b/src/Makefile
new file mode 100644
index 0000000..9436d01
--- /dev/null
+++ b/src/Makefile
@@ -0,0 +1,319 @@
+# Copyright © 2022 - Rennes Physics Institute
+#
+# This file is part of MsSpec-DFM.
+#
+# MsSpec-DFM is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# MsSpec-DFM is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with MsSpec-DFM. If not, see .
+#
+# Source file : src/Makefile
+# Last modified: Fri, 25 Feb 2022 17:27:18 +0100
+# Committed by : Sylvain Tricot 1645806435 +0100
+
+#
+# Type 'make help' for some help
+#
+###############################################################################
+# OPTIONS #
+###############################################################################
+DEBUG = 0
+BUILDDIR = build
+EXE = eps
+SO = $(EXE).so
+FC = gfortran
+PREFIX = $(HOME)/.local
+AUTHORS = Didier Sébilleau , \
+ Aditi Mandal , \
+ Sylvain Tricot
+
+################################################################################
+# /!\ DO NOT EDIT BELOW THAT LINE (unlesss you know what you're doing...) #
+# CORE CONFIGURATION #
+################################################################################
+
+PYTHON_PKG_NAME = msspec_dfm
+VERSION = $(shell cd python && python -c 'from $(PYTHON_PKG_NAME) import __version__; print(__version__)')
+SRCDIR = fortran/DFM_library
+PYPKG = python/$(PYTHON_PKG_NAME)
+
+ifeq ($(DEBUG),0)
+ FFLAGS =
+else
+ FFLAGS = -g -fbounds-check -fbacktrace -ffpe-trap=zero,overflow,underflow,invalid,denormal
+endif
+
+# Use f2py of the virtualenv if possible
+ifdef VIRTUAL_ENV
+ F2PY = $(VIRTUAL_ENV)/bin/f2py
+else
+ F2PY = $(shell which f2py)
+endif
+F2PY += --f77exec=$(FC) --f90exec=$(FC)
+
+# Source files
+MANPAGE := man/eps.1
+
+cmn_DEPS:=$(SRCDIR)/ACCURACY_LIBRARY/accuracy.f90 \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/input_values.f90 \
+ $(SRCDIR)/DIMENSIONS_LIBRARY/dimensions.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/simple_numbers.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/powers_of_ten.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/mathematical_constants.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/physical_constants.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/factorials.f90 \
+ $(SRCDIR)/ERROR_HANDLING_LIBRARY/error_caltech.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/printfiles.f90 \
+ $(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/utic_values.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/external_damping.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/Fermi_values.f90
+
+tool_SRCS:=$(cmn_DEPS) \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/external_functions.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/Lindhard_function.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/gamma.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/digamma.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/2F1_real.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/mod_mlf_garrappa.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/derivation.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/smoothing.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/interpolation.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/integration.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/integration4.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/transforms.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/basic_functions.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/bessel.f90
+
+util_SRCS:=$(cmn_DEPS) \
+ $(SRCDIR)/UTILITIES_LIBRARY/utilities_1.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_1.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_4.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_6.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_7.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_8.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_9.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/find_zero.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/polynomial_equations.f90
+
+prop_SRCS:=$(cmn_DEPS) \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/calc_Fermi.f90 \
+ $(SRCDIR)/PLASMON_LIBRARY/plasmon_ene.f90 \
+ $(SRCDIR)/SCALE_PARAMETERS_LIBRARY/scale_parameters.f90 \
+ $(SRCDIR)/ENERGIES_LIBRARY/correlation_energies.f90 \
+ $(SRCDIR)/ENERGIES_LIBRARY/delta_t.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/thermodynamic_properties.f90 \
+ $(SRCDIR)/SCREENING_LIBRARY/screening_vec1.f90 \
+ $(SRCDIR)/CONFINEMENT_LIBRARY/confinement_ff.f90 \
+ $(SRCDIR)/CONFINEMENT_LIBRARY/coulomb.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/utilities_3.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/material_properties.f90 \
+ $(SRCDIR)/THERMAL_PROPERTIES_LIBRARY/thermal_properties.f90 \
+ $(SRCDIR)/ENERGIES_LIBRARY/xc_energies.f90 \
+ $(SRCDIR)/ENERGIES_LIBRARY/exchange_energies.f90 \
+ $(SRCDIR)/ENERGIES_LIBRARY/kinetic_energies.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/thermodynamic_quantities.f90 \
+ $(SRCDIR)/THERMAL_PROPERTIES_LIBRARY/chemical_potential.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/utilities_4.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/calc_energies.f90
+#
+# Read input data file:
+#
+read_SRCS:=$(tool_SRCS) $(util_SRCS) $(prop_SRCS) \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/read_data.f90
+
+io_SRCS:=$(SRCDIR)/INPUT_OUTPUT_LIBRARY/filenames.f90 \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/outfiles.f90 \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/change_filenames.f90 \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/store_coef.f90 \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/open_files.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_headers.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_calc_type.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_Fermi.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_plasmons.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_scale_param.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_material_lengths.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_thermal.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_thermodynamics.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_energies.f90 \
+ $(SRCDIR)/INPUT_OUTPUT_LIBRARY/close_files.f90
+
+calc_DEPS:=$(cmn_DEPS) \
+ $(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_static.f90 \
+ $(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90 \
+ $(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90 \
+ $(SRCDIR)/CONFINEMENT_LIBRARY/confinement_wf.f90 \
+ $(SRCDIR)/LOCAL_FIELD_LIBRARY/iq_functions_1.f90 \
+ $(SRCDIR)/MOMENTS_LIBRARY/loss_moments.f90 \
+ $(SRCDIR)/PAIR_DISTRIBUTION_FUNCTION/pair_distribution.f90 \
+ $(SRCDIR)/PAIR_CORRELATION_LIBRARY/pair_correlation.f90 \
+ $(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_static.f90 \
+ $(SRCDIR)/LOCAL_FIELD_LIBRARY/iq_functions_2.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_2.f90 \
+ $(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90 \
+ $(SRCDIR)/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90 \
+ $(SRCDIR)/LOCAL_FIELD_LIBRARY/local_field_static.f90 \
+ $(SRCDIR)/LOCAL_FIELD_LIBRARY/local_field_static_2.f90 \
+ $(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_static_2.f90 \
+ $(SRCDIR)/NEVANLINNA_FUNCTIONS_LIBRARY/Nevanlinna_functions.f90 \
+ $(SRCDIR)/MEMORY_FUNCTIONS_LIBRARY/memory_functions.f90 \
+ $(SRCDIR)/SCREENING_LIBRARY/screening_vec2.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/velocities.f90 \
+ $(SRCDIR)/SCALE_PARAMETERS_LIBRARY/scale_parameters.f90 \
+ $(SRCDIR)/MOMENTS_LIBRARY/moments.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_3.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_10.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/coulomb_log.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/packing_fraction.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/classical_fluid.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/diffusion_coefficient.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/electron_phonon_int.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/scattering_length.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/lifetime.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/viscosity.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/relaxation_time_static.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/utic_parameters.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/decay_rate.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/calc_damping.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/diffusion_coefficient_2.f90 \
+ $(SRCDIR)/PLASMON_LIBRARY/plasmon_dispersion.f90 \
+ $(SRCDIR)/PLASMON_LIBRARY/q_bounds.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/plasmon_damping.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/calc_energies.f90 \
+ $(SRCDIR)/PHYSICAL_PROPERTIES_LIBRARY/grand_partition.f90 \
+ $(SRCDIR)/UTILITIES_LIBRARY/utilities_2.f90 \
+ $(SRCDIR)/LANDAU_PARAMETERS_LIBRARY/landau.f90 \
+ $(SRCDIR)/VARIOUS_FUNCTIONS_LIBRARY/phi_function.f90 \
+ $(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_stan_dynamic.f90 \
+ $(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_magn_dynamic.f90 \
+ $(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfunct_dynamic.f90 \
+ $(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_dynamic_2.f90 \
+ $(SRCDIR)/INTERACTION_POTENTIALS_LIBRARY/interaction_potentials_r.f90 \
+ $(SRCDIR)/INTERACTION_POTENTIALS_LIBRARY/interaction_potentials_k.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/decay_rate.f90 \
+ $(SRCDIR)/STRUCTURE_FACTOR_LIBRARY/structure_factor_dynamic.f90 \
+ $(SRCDIR)/DIELECTRIC_FUNCTIONS_LIBRARY/dfuncl_stan_dynamic_2.f90 \
+ $(SRCDIR)/DAMPING_LIBRARY/mean_free_path.f90 \
+ $(SRCDIR)/SPECTRAL_FUNCTION_LIBRARY/spectral_function.f90 \
+ $(SRCDIR)/LOCAL_FIELD_LIBRARY/local_field_dynamic.f90 \
+ $(SRCDIR)/PRINT_LIBRARY/print_asymptotic.f90 \
+ $(SRCDIR)/POST_PROCESSING_LIBRARY/re_eps_0_treatment.f90 \
+ $(SRCDIR)/MOMENTS_LIBRARY/moments_loss.f90 \
+ $(SRCDIR)/SPECIFIC_INTEGRALS_LIBRARY/specific_int_5.f90
+#
+# Calculators:
+#
+calc_SRCS:=$(SRCDIR)/CALCULATORS_LIBRARY/calculators_1.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_2.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_3.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_5.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_7.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_8.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_9.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_1.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_2.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_3.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_5.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_7.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_8.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_9.f90
+#
+# Test_integrals:
+#
+calc_TEST:=$(SRCDIR)/TEST_LIBRARY/test_integrals_2.f90 \
+ $(SRCDIR)/TEST_LIBRARY/test_integrals_3.f90 \
+ $(SRCDIR)/TEST_LIBRARY/test_integrals_8.f90 \
+ $(SRCDIR)/TEST_LIBRARY/test_int_Hubbard.f90
+#
+# Post-processing:
+#
+calc_POST:=$(SRCDIR)/PLASMON_LIBRARY/plasmon_dispersion_2.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/calculators_p.f90 \
+ $(SRCDIR)/CALCULATORS_LIBRARY/call_calc_p.f90
+
+
+SRCS:= $(read_SRCS) $(io_SRCS) $(calc_DEPS) $(calc_SRCS) $(calc_TEST) $(calc_POST)
+OBJS:=$(addprefix $(BUILDDIR)/,$(patsubst %.f90,%.o,$(SRCS)))
+
+
+.PHONY: all obj exe so pypkg install uninstall clean help
+
+
+all: so
+
+obj: $(OBJS)
+
+#exe: $(BUILDDIR)/$(EXE)
+
+so: python/$(PYTHON_PKG_NAME)/$(SO)
+
+pypkg: python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz
+
+
+python/VERSION:
+ @cat $(VERSION) > $@
+
+
+python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz: python/$(PYTHON_PKG_NAME)/$(SO)
+python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz: python/man/$(EXE).1.gz
+python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz: python/MANIFEST.in python/setup.py python/pip.freeze $(shell find python/$(PYTHON_PKG_NAME) -name '*.py')
+ @cd python && python setup.py sdist
+
+
+python/$(PYTHON_PKG_NAME)/$(SO): $(OBJS) $(SRCDIR)/../epsilon.f90
+ @echo "Building $@ shared object..."
+ @mkdir -p $(BUILDDIR)
+ @sed -e 's/END PROGRAM.*/END SUBROUTINE/' -e 's/PROGRAM/SUBROUTINE/' $(SRCDIR)/../epsilon.f90 > $(BUILDDIR)/_dfm.f90
+ @$(F2PY) -m $(BUILDDIR).$(basename $(@F)) -c $(filter-out $(lastword $^), $^) $(BUILDDIR)/_dfm.f90 && mv $(BUILDDIR)/*.so $@
+
+
+#$(BUILDDIR)/$(EXE): $(OBJS) $(SRCDIR)/../epsilon.f90
+# @echo "building main $@..."
+# @$(FC) $(FFLAGS) $(LDFLAGS) $(LDLIBS) -J $(BUILDDIR) -o $@ $^
+
+
+python/man/$(EXE).1.gz: python/man/manpage.txt
+ @sed -e 's/^\.TH.*/\.TH man 1 \"$(shell date)\" \"$(VERSION)\" \"$(EXE) man page\"/' \
+ -e 's/^$$AUTHORS$$.*/$(AUTHORS)/' $^ > $@
+ @gzip $@
+
+
+
+$(BUILDDIR)/%.o: %.f90
+ @echo "Compiling $@..."
+ @mkdir -p $(BUILDDIR)/$(dir $^)
+ @$(FC) $(FFLAGS) -J $(BUILDDIR) -I $(BUILDDIR) -fPIC -o $@ -c $<
+
+
+install: python/dist/$(PYTHON_PKG_NAME)-$(VERSION).tar.gz
+ @echo "Installing $^"
+ @pip install $^
+
+
+uninstall:
+ @pip uninstall -y $(PYTHON_PKG_NAME)
+
+
+clean:
+ @rm -rf $(BUILDDIR)
+ @rm -f python/$(PYTHON_PKG_NAME)/*.so
+ @rm -rf python/dist
+ @rm -rf python/*.egg-info
+ @rm -f python/VERSION
+ @rm -f python/man/*.gz
+
+
+help:
+ @echo "Type 'make' or 'make all' to build the executable and the Python shared library"
+ @echo "Type 'make install' to install the code."
+ @echo "By default, this installation is located in $(PREFIX)."
+ @echo "The installation prefix can be changed with the 'PREFIX' variable"
+ @echo "It is also possible to add debugging symbols with the 'DEBUG' variable."
+ @echo "For example, to install in another (writable) location with debugging options:"
+ @echo " make DEBUG=1 && make install PREFIX=/opt"
+
diff --git a/New_libraries/DFM_library/ACCURACY_LIBRARY/accuracy.f90 b/src/fortran/DFM_library/ACCURACY_LIBRARY/accuracy.f90
similarity index 100%
rename from New_libraries/DFM_library/ACCURACY_LIBRARY/accuracy.f90
rename to src/fortran/DFM_library/ACCURACY_LIBRARY/accuracy.f90
diff --git a/New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90 b/src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90
similarity index 100%
rename from New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90
rename to src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/calc_asymptotic.f90
diff --git a/New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90 b/src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90
similarity index 100%
rename from New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90
rename to src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gamma_asymptotic.f90
diff --git a/New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90 b/src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90
similarity index 100%
rename from New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90
rename to src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/gr_asymptotic.f90
diff --git a/New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90 b/src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90
similarity index 100%
rename from New_libraries/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90
rename to src/fortran/DFM_library/ASYMPTOTIC_VALUES_LIBRARY/sq_asymptotic.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_1.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_1.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_1.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_1.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_2.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_2.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_2.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_2.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_3.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_3.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_3.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_3.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_4.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_4.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_4.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_4.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_5.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_5.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_5.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_5.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_6.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_6.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_6.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_6.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_7.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_7.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_7.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_7.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_8.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_8.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_8.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_8.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_9.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_9.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_9.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_9.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_p.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_p.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/calculators_p.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/calculators_p.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_1.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_1.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_1.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_1.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_2.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_2.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_2.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_2.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_3.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_3.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_3.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_3.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_4.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_4.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_4.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_4.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_5.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_5.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_5.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_5.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_6.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_6.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_6.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_6.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_7.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_7.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_7.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_7.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_8.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_8.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_8.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_8.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_9.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_9.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_9.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_9.f90
diff --git a/New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_p.f90 b/src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_p.f90
similarity index 100%
rename from New_libraries/DFM_library/CALCULATORS_LIBRARY/call_calc_p.f90
rename to src/fortran/DFM_library/CALCULATORS_LIBRARY/call_calc_p.f90
diff --git a/New_libraries/DFM_library/CONFINEMENT_LIBRARY/Note.txt b/src/fortran/DFM_library/CONFINEMENT_LIBRARY/Note.txt
similarity index 100%
rename from New_libraries/DFM_library/CONFINEMENT_LIBRARY/Note.txt
rename to src/fortran/DFM_library/CONFINEMENT_LIBRARY/Note.txt
diff --git a/New_libraries/DFM_library/CONFINEMENT_LIBRARY/confinement_ff.f90 b/src/fortran/DFM_library/CONFINEMENT_LIBRARY/confinement_ff.f90
similarity index 100%
rename from New_libraries/DFM_library/CONFINEMENT_LIBRARY/confinement_ff.f90
rename to src/fortran/DFM_library/CONFINEMENT_LIBRARY/confinement_ff.f90
diff --git a/New_libraries/DFM_library/CONFINEMENT_LIBRARY/confinement_wf.f90 b/src/fortran/DFM_library/CONFINEMENT_LIBRARY/confinement_wf.f90
similarity index 100%
rename from New_libraries/DFM_library/CONFINEMENT_LIBRARY/confinement_wf.f90
rename to src/fortran/DFM_library/CONFINEMENT_LIBRARY/confinement_wf.f90
diff --git a/New_libraries/DFM_library/CONFINEMENT_LIBRARY/coulomb.f90 b/src/fortran/DFM_library/CONFINEMENT_LIBRARY/coulomb.f90
similarity index 100%
rename from New_libraries/DFM_library/CONFINEMENT_LIBRARY/coulomb.f90
rename to src/fortran/DFM_library/CONFINEMENT_LIBRARY/coulomb.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/calc_damping.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/calc_damping.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/calc_damping.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/calc_damping.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/classical_fluid.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/classical_fluid.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/classical_fluid.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/classical_fluid.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/decay_rate.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/decay_rate.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/decay_rate.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/decay_rate.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/diffusion_coefficient.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/diffusion_coefficient.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/diffusion_coefficient.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/diffusion_coefficient.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/diffusion_coefficient_2.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/diffusion_coefficient_2.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/diffusion_coefficient_2.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/diffusion_coefficient_2.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/electron_phonon_int.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/electron_phonon_int.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/electron_phonon_int.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/electron_phonon_int.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/external_damping.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/external_damping.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/external_damping.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/external_damping.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/lifetime.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/lifetime.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/lifetime.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/lifetime.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/mean_free_path.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/mean_free_path.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/mean_free_path.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/mean_free_path.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/packing_fraction.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/packing_fraction.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/packing_fraction.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/packing_fraction.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/plasmon_damping.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/plasmon_damping.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/plasmon_damping.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/plasmon_damping.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/relaxation_time_dynamic.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/relaxation_time_dynamic.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/relaxation_time_dynamic.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/relaxation_time_dynamic.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/relaxation_time_static.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/relaxation_time_static.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/relaxation_time_static.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/relaxation_time_static.f90
diff --git a/New_libraries/DFM_library/DAMPING_LIBRARY/scattering_length.f90 b/src/fortran/DFM_library/DAMPING_LIBRARY/scattering_length.f90
similarity index 100%
rename from New_libraries/DFM_library/DAMPING_LIBRARY/scattering_length.f90
rename to src/fortran/DFM_library/DAMPING_LIBRARY/scattering_length.f90
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diff --git a/New_libraries/DFM_library/LOCAL_FIELD_LIBRARY/101.pdf b/src/fortran/DFM_library/LOCAL_FIELD_LIBRARY/101.pdf
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diff --git a/New_libraries/DFM_library/NEVANLINNA_FUNCTIONS_LIBRARY/Nevanlinna_functions.f90 b/src/fortran/DFM_library/NEVANLINNA_FUNCTIONS_LIBRARY/Nevanlinna_functions.f90
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diff --git a/New_libraries/DFM_library/PAIR_CORRELATION_LIBRARY/PhysRevB.64.155102.pdf b/src/fortran/DFM_library/PAIR_CORRELATION_LIBRARY/PhysRevB.64.155102.pdf
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diff --git a/New_libraries/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/Legendre_functions.f90 b/src/fortran/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/Legendre_functions.f90
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diff --git a/New_libraries/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/basic_functions.f90 b/src/fortran/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/basic_functions.f90
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diff --git a/New_libraries/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/bessel.f90 b/src/fortran/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/bessel.f90
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diff --git a/New_libraries/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/coulomb_log.f90 b/src/fortran/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/coulomb_log.f90
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diff --git a/New_libraries/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/digamma.f90 b/src/fortran/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/digamma.f90
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diff --git a/New_libraries/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/external_functions.f90 b/src/fortran/DFM_library/VARIOUS_FUNCTIONS_LIBRARY/external_functions.f90
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diff --git a/src/python/MANIFEST.in b/src/python/MANIFEST.in
new file mode 100644
index 0000000..0192b89
--- /dev/null
+++ b/src/python/MANIFEST.in
@@ -0,0 +1,2 @@
+recursive-include msspec_dfm *.so
+include pip.freeze
diff --git a/src/python/man/manpage.txt b/src/python/man/manpage.txt
new file mode 100644
index 0000000..08df566
--- /dev/null
+++ b/src/python/man/manpage.txt
@@ -0,0 +1,2611 @@
+.\" Manpage for eps.
+.TH man 1 "22 February 2022" "1.0" "eps man page"
+.SH NAME
+eps \- compute the dielectric function
+.SH SYNOPSIS
+eps INPUT_FILE
+.SH DESCRIPTION
+eps is a program to compute the dielectric function in the (q,omega) space according to various models and approximations.
+.SH OPTIONS
+The INPUT_FILE is formatted as follows
+
+ ******************************************************************************
+ * MsSpec DIELECTRIC FUNCTION MODULE *
+ ******************************************************************************
+ *=======+=========+=========+=========+=========+============================*
+ * GENERAL PARAMETERS : *
+ *=======+=========+=========+=========+=========+============================*
+ * (q,omega,r) : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0.010 4.000 1000 Q_MIN,Q_MAX,N_Q * in units of k_F
+ * 0.010 4.000 2000 E_MIN,E_MAX,N_E * in units of E_F
+ * 0.010 4.000 2000 R_MIN,R_MAX,N_R * in units of 1/k_F
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Material's properties : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 2.079 1.000 SCHRO 1.000 RS,MSOM,MAT_TYP,EPS_B *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * External fields : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 1.00 0.000 0.000 NO T,E,H,FLD *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * System's dimension : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 3D DIM *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Confinement : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0.000 0.000 0.00 NO-CONF R0,L,OM0,CONFIN *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Multilayer structure : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0.000 0.000 0.00 0.00 DL,D1,N_DEP,N_INV * --- EPS_1 ---
+ * NONE 12.000 12.000 H_TYPE,EPS_1,EPS_2 * EPS_2
+ *-------+---------+---------+---------+---------+----------------------------* --- EPS_1 ---
+ * Units : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * SIU SI UNIT,UNIK *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Screening : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * NO SC_TYPE *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Plasma type : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * OCP 1.000 0.000 PL_TYPE,ZION,ZION2 *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Calculation type : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * QUANTUM CAL_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * DIELECTRIC FUNCTION : *
+ *=======+=========+=========+=========+=========+============================*
+ * DYNAMIC LONG NEV3 0 ESTDY,EPS_T,D_FUNC,I_T *
+ * STA2 COCO 0.500 0.600 NEV_TYPE,MEM_TYPE,ALPHA,BETA *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Analytical plasmon dispersion : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * RP2_MOD PL_DISP *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Local-field corrections *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * STATIC ICUT IKP GSTDY,GQ_TYPE,IQ_TYPE *
+ * NONE NONE EC EC LANDAU,GQO_TYPE,G0_TYPE,GI_TYPE*
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Damping : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * RELA NONE EX1 DAMPING,LT_TYPE,RT_TYPE *
+ * NONE EXTE NONE DR_TYPE,DC_TYPE,VI_TYPE *
+ * NONE NONE NONE EE_TYPE,EP_TYPE,EI_TYPE *
+ * NONE NONE LORE 1.250 IP_TYPE,PD_TYPE,QD_TYPE,ZETA *
+ * 0.500 FEMTO 50.00 D_VALUE_1,POWER_1,EK *
+ * 5.000 FEMTO 0.80 D_VALUE_2,POWER_2,PCT *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Electron-electron interaction : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * COULO 2.590 470.000 1.500 INT_POT,S,EPS,DELTA *
+ * 1.500 5.000 7 28 RC,ALF,M,N *
+ * 1.000 1.000 1.000 1.000 A1,A2,A3,A4 *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Electron-phonon interaction : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 1500.000 1500.000 EP_C,DEBYE_T *
+ * 12.000 0.000 0.000 NA,MA,RA *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Electron-impurity interaction : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0.000 0.000 NI,EI_C *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * Classical fluid parameters : *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * SHS HSM HSP CF_TYPE,PF_TYPE,SL_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * STRUCTURE FACTOR : *
+ *=======+=========+=========+=========+=========+============================*
+ * DYNAMIC PKA EPS SSTDY,SQ_TYPE,SQO_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * PAIR CORRELATION FUNCTION : *
+ *=======+=========+=========+=========+=========+============================*
+ * SHA KIMB GR_TYPE,GR0_MODE *
+ *=======+=========+=========+=========+=========+============================*
+ * PAIR DISTRIBUTION FUNCTION : *
+ *=======+=========+=========+=========+=========+============================*
+ * CEG RH_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * SPECTRAL FUNCTION : *
+ *=======+=========+=========+=========+=========+============================*
+ * NAIC SPF_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * ENERGY CALCULATIONS : *
+ *=======+=========+=========+=========+=========+============================*
+ * GGSB_G NO NO EC_TYPE,FXC_TYPE,EXC_TYPE *
+ * HEG HEG EX_TYPE,EK_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * SPIN POLARIZATION : *
+ *=======+=========+=========+=========+=========+============================*
+ * 1 0.000 IMODE,XI *
+ *=======+=========+=========+=========+=========+============================*
+ * THERMODYNAMIC PROPERTIES : *
+ *=======+=========+=========+=========+=========+============================*
+ * QUAN IK0 TH_PROP,GP_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * ELECTRON MEAN FREE PATH : *
+ *=======+=========+=========+=========+=========+============================*
+ * 150.00 200.00 EK_INI,EK_FIN *
+ *=======+=========+=========+=========+=========+============================*
+ * CALCULATION OF MOMENTS : *
+ *=======+=========+=========+=========+=========+============================*
+ * 1 SQO N_M,M_TYPE *
+ *=======+=========+=========+=========+=========+============================*
+ * INCOMING ION BEAM : *
+ *=======+=========+=========+=========+=========+============================*
+ * 1.00 15000.00 Z_BEAM,EK_BEAM *
+ *=======+=========+=========+=========+=========+============================*
+ * OUTPUT CALCULATIONS/PRINTING : *
+ *=======+=========+=========+=========+=========+============================*
+ * 1 0 0 0 I_DF,I_PZ,I_SU,I_CD *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 1 1 0 0 I_PD,I_EH,I_E2,I_CK *
+ * 0 0 I_CR,I_PK *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 0 0 0 I_LF,I_IQ,I_SF,I_PC *
+ * 0 0 0 0 I_P2,I_VX,I_DC,I_MD *
+ * 0 0 0 0 I_LD,I_DP,I_LT,I_BR *
+ * 0 0 0 0 I_PE,I_QC,I_RL,I_KS *
+ * 0 0 0 0 I_OQ,I_ME,I_MS,I_ML *
+ * 0 0 0 0 I_MC,I_DE,I_ZE,I_SR *
+ * 0 0 0 0 I_CW,I_CF,I_EM,I_MF *
+ * 0 0 0 0 I_SP,I_SE,I_SB,I_ES *
+ * 0 0 0 0 I_GR,I_FD,I_BE,I_MX *
+ * 0 0 0 0 I_SC,I_DS,I_NV,I_MT *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 0 0 0 I_GP,I_PR,I_CO,I_CP *
+ * 0 0 0 0 I_BM,I_SH,I_S0,I_S1 *
+ * 0 0 0 0 I_DT,I_PS,I_IE,I_EI *
+ * 0 0 I_FH,I_EY *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 1 1 1 1 I_EF,I_KF,I_VF,I_TE *
+ * 1 I_DL *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 0 0 I_TW,I_VT,I_TC *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 0 0 0 I_EG,I_EX,I_XC,I_EC *
+ * 0 0 0 I_HF,I_EK,I_EP *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 0 I_VI,I_DI *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 0 0 0 I_FP,I_EL,I_PO,I_RF *
+ * 0 I_VC *
+ *-------+---------+---------+---------+---------+----------------------------*
+ * 0 2 0 I_FN,I_WR,I_TI *
+ *=======+=========+=========+=========+=========+============================*
+ * INPUT FILES : *
+ *----------------------------------------------------------------------------*
+ * NAME UNIT TYPE *
+ *=======+======================+======+=========+============================*
+ * epsilon.dat 5 INPUT DATA FILE *
+ *=======+======================+======+=========+============================*
+ * OUTPUT FILES : *
+ *----------------------------------------------------------------------------*
+ * NAME UNIT TYPE *
+ *=======+======================+======+=========+============================*
+ * epsilon.lis 6 CHECK FILE *
+ *=======+======================+======+=========+============================*
+ * END OF THE DATA FILE *
+ *============================================================================*
+ ******************************************************************************
+
+
+.SH DESCRIPTION OF THE CALCULATION PARAMETERS
+
+ *=======+=========+=========+=========+=========+===========================*
+ * GENERAL PARAMETERS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * Q_MIN : minimum value of q (in units of k_F)
+ * Q_MAX : maximum value of q (in units of k_F)
+ * N_Q : number of q-points
+
+ * E_MIN : minimum value of energy (in units of E_F)
+ * E_MAX : maximum value of energy (in units of E_F)
+ * N_E : number of E-points
+
+ * R_MIN : minimum value of distance r (in units of 1/k_F)
+ * R_MAX : maximum value of distance r (in units of 1/k_F))
+ * N_R : number of r-points
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * RS : average distance between 2 electrons (in units of a0)
+ ~
+ * MSOM : m*/m (for semiconductors)
+ ~
+ * MAT_TYP : type of material
+ MAT_TYPE = 'SCHRO' standard solid
+ MAT_TYPE = 'DIRAC' massless Fermions
+ MAT_TYPE = 'NEUTR' neutral classical liquid
+ MAT_TYPE = 'POLAR' polar classical liquid
+ ~
+ * EPS_B : material's dielectric constant
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * T : temperature (in SI)
+ ~
+ * E : external electric field (in SI)
+ ~
+ * H : external magnetic field (in SI)
+ ~
+ * FLD : strength of the magnetic field
+ FLD = 'NO' no field
+ FLD = 'WF' weak field
+ FLD = 'IF' intermediate field
+ FLD = 'LF' large field
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * DIM : dimension of the system
+ DIM = '3D'
+ DIM = '2D'
+ DIM = '1D'
+ DIM = 'Q0' quasi-0D
+ DIM = 'Q1' quasi-1D
+ DIM = 'Q2' quasi-2D
+ DIM = 'BL' bilayer
+ DIM = 'ML' multilayer
+ DIM = 'ML' multilayer
+
+ ~
+
+ * R0 : wire radius
+ ~
+ * L : length of quantum well
+ ~
+ * OM0 : frequency of the confinement potential (SI)
+ ~
+ * CONFIN : type of confinement
+ CONFIN = 'NO-CONF' no confinement
+ CONFIN = 'DSEPLAY' layer within a stacking of layers
+ CONFIN = 'CC-1111' cylindrical within subband 1
+ CONFIN = 'CC-1122' cylindrical between subbands 1 and 2
+ CONFIN = 'CC-1221' cylindrical between subbands 1 and 2
+ CONFIN = 'CC-2222' cylindrical within subband 2
+ CONFIN = 'HC-1111' harmonic within subband 1
+ CONFIN = 'HC-1122' harmonic between subbands 1 and 2
+ CONFIN = 'HC-1221' harmonic between subbands 1 and 2
+ CONFIN = 'HC-2222' harmonic within subband 2
+ CONFIN = 'INVLAYE' inversion layer in semiconductor
+ CONFIN = 'IQWE_LB' square well with an infinite barrier
+ CONFIN = 'PC1_QWI' parabolic
+ CONFIN = 'PC2_QWI' parabolic
+ CONFIN = 'SOFTCOR' soft-core potential
+ CONFIN = 'SWC_QWI' square well with an infinite barrier
+
+ ~
+
+ * DL : interlayer distance
+ ~
+ * D1 : distance between the two layers in the unit cell
+ ~
+ * N_DEP : electron concentration in depletion layer (SI)
+ ~
+ * N_INV : electron concentration in inversion layer (SI)
+
+ ~
+
+ * H_TYPE : heterostructure type
+ H_TYPE = 'SSL1' semiconductor superlattice of type I
+ H_TYPE = 'SSL2' semiconductor superlattice of type II
+ H_TYPE = 'BILA' bilayer
+ H_TYPE = 'MLA1' multilayer with with one layer / unit cell
+ H_TYPE = 'MLA2' multilayer with with two layers / unit cell
+ ~
+ * EPS_1 : background/layer dielectric constant
+ ~
+ * EPS_2 : interlayer dielectric constant
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * UNIT : system unit
+ UNIT = 'SIU' international system
+ UNIT = 'CGS' CGS system
+ UNIT = 'ATU' atomic units
+
+ * UNIK : K unit
+ UNIK = 'SI' international system
+ UNIK = 'AU' atomic units
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * SC_TYPE : type of screeening
+ SC_TYPE = 'NO' no screening
+ SC_TYPE = 'DH' Debye-Hückel
+ SC_TYPE = 'IS' Tago-Utsumi-Ichimaru
+ SC_TYPE = 'KL' Kleinman
+ SC_TYPE = 'OC' one-component plasma
+ SC_TYPE = 'RP' RPA
+ SC_TYPE = 'ST' Streitenberger
+ SC_TYPE = 'TF' Thomas-Fermi
+ SC_TYPE = 'UI' Utsumi-Ichimaru
+ SC_TYPE = 'YT' Yasuhara-Takada
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * PL_TYPE : type of plasma considered
+ PL_TYPE = 'OCP' --> one-component plasma (~ electron gas)
+ PL_TYPE = 'DCP' --> two-component plasma
+
+ * ZION : atomic number of (first) ion
+
+ * ZION2 : atomic number of second ion
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * CAL_TYPE : type of calculation
+ CAL_TYPE = 'QUANTUM' --> quantum fluid
+ CAL_TYPE = 'CLASSIC' --> classical fluid
+
+ *=======+=========+=========+=========+=========+===========================*
+ * DIELECTRIC FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+
+ * ESTDY : static vs dynamic dielectric function
+ STDY = ' STATIC'
+ STDY = 'DYNAMIC'
+
+ * EPS_T : type of dielcectric function
+ EPS_T = 'LONG' longitudinal --> D_FUNCL
+ EPS_T = 'TRAN' transverse --> D_FUNCT
+
+ * D_FUNC : model of dielectric function :
+
+ 1) Static:
+
+ ---> longitudinal:
+
+ D_FUNCL = 'LRPA' random phase approximation (3D,2D,1D)
+ D_FUNCL = 'THFE' Thomas-Fermi approximation (3D,2D,1D)
+
+ 2) Dynamic:
+
+ ---> transverse:
+
+ D_FUNCT = 'RPA1' random phase approximation (3D,2D)
+ D_FUNCT = 'RPA2' random phase approximation (3D)
+ D_FUNCT = 'LVLA' linearized Vlasov (3D)
+ D_FUNCT = 'MER1' Mermin (3D)
+ D_FUNCT = 'BLTZ' Boltzmann (3D)
+
+ ---> longitudinal:
+
+ D_FUNCL = 'ARBR' Arista-Brandt 1 <-- T-dependent
+ D_FUNCL = 'ATAS' Atwal-Ashcroft <-- T-dependent
+ D_FUNCL = 'BLZ1' Boltzmann
+ D_FUNCL = 'BLZ2' damped Boltzmann
+ D_FUNCL = 'DACA' Arista-Brandt 2 <-- T-dependent
+ D_FUNCL = 'GOTZ' Götze memory function
+ D_FUNCL = 'HEAP' Hertel-Appel
+ D_FUNCL = 'HAFO' Hartree-Fock
+ D_FUNCL = 'HUCO' Hu-O'Connell <-- damping (3D,2D,Q1)
+ D_FUNCL = 'HYDR' hydrodynamic <-- damping
+ D_FUNCL = 'KLEI' Kleinman <-- T-dependent
+ D_FUNCL = 'KLKD' Klimontovich-Kraeft <-- T-dependent
+ D_FUNCL = 'KLKN' Klimontovich-Kraeft <-- T-dependent
+ D_FUNCL = 'LAND' Landau parameters-based
+ D_FUNCL = 'LVL1' linearized Vlasov (weak coupling) <-- T-dependent
+ D_FUNCL = 'LVL2' linearized Vlasov (strong coupling) <-- T-dependent
+ D_FUNCL = 'MEM2' Two-moment memory function <-- T-dependent
+ D_FUNCL = 'MEM3' Three-moment memory function <-- T-dependent
+ D_FUNCL = 'MEM4' Four-moment memory function <-- T-dependent
+ D_FUNCL = 'MER1' Mermin 1 <-- damping (3D,2D)
+ D_FUNCL = 'MER2' Lindhard-Mermin <-- T-dependent
+ D_FUNCL = 'MER+' Mermin with Local Field Corrections <-- damping
+ D_FUNCL = 'MSAP' mean spherical approximation
+ D_FUNCL = 'NEV2' Two-moment Nevanlinna <-- T-dependent
+ D_FUNCL = 'NEV3' Three-moment Nevanlinna <-- T-dependent
+ D_FUNCL = 'NEV4' Four-moment Nevanlinna <-- T-dependent
+ D_FUNCL = 'PLPO' plasmon pole
+ D_FUNCL = 'RDF1' Altshuler et al <-- damping
+ D_FUNCL = 'RDF2' Altshuler et al <-- damping
+ D_FUNCL = 'RPA1' RPA
+ D_FUNCL = 'RPA2' RPA <-- T-dependent
+ D_FUNCL = 'RPA+' RPA + static local field corrections
+ D_FUNCL = 'RPA3' random phase approximation <-- magnetic field (2D)
+ D_FUNCL = 'SO2E' computed from S(q,omega)
+ D_FUNCL = 'UTIC' Utsumi-Ichimaru <-- T-dependent
+ D_FUNCL = 'VLFP' Vlasov-Fokker-Planck <-- damping
+
+ * I_T : way to incorporate temperature dependence
+ I_T = 0 --> no temperature (T = 0)
+ I_T = 1 --> analytical models used
+ I_T = 2 --> temperature convolution
+
+ ~
+
+ * NEV_TYPE : type of Nevalinna function used (only for D_FUNCL = 'NEVn')
+ NEV_TYPE = 'NONE' --> no function
+ NEV_TYPE = 'RELA' --> static value h(q) = i / tau
+ NEV_TYPE = 'STA1' --> static value h(q)
+ NEV_TYPE = 'STA2' --> static value h(q)
+ NEV_TYPE = 'STA3' --> static value h(q)
+ NEV_TYPE = 'STA4' --> static value h(q)
+ NEV_TYPE = 'PEEL' --> Perel'-Eliashberg function
+ NEV_TYPE = 'PE76' --> Perel'-Eliashberg by Arkhipov et al
+ NEV_TYPE = 'CCP1' -->
+ NEV_TYPE = 'CCP2' -->
+ NEV_TYPE = 'CCP3' -->
+ NEV_TYPE = 'CCP4' -->
+ NEV_TYPE = 'PST1' -->
+
+ * MEM_TYPE : type of memory function used (only for D_FUNCL = 'MEMn')
+ MEM_TYPE = 'NONE' --> no function
+ MEM_TYPE = 'DELT' --> delta function
+ MEM_TYPE = 'DGAU' --> double Gaussian functions
+ MEM_TYPE = 'EXPO' --> exponential function
+ MEM_TYPE = 'GAUS' --> Gaussian function
+ MEM_TYPE = 'LORE' --> Lorentzian function
+ MEM_TYPE = 'SINC' --> sinc function
+ MEM_TYPE = 'BES0' --> J_0(t) function
+ MEM_TYPE = 'BES1' --> J_1(t)/t function
+ MEM_TYPE = 'SEC2' --> sech^2(t) function
+ MEM_TYPE = 'COCO' --> Cole-Cole function
+ MEM_TYPE = 'CODA' --> Cole-Davidson function
+ MEM_TYPE = 'HANE' --> Habriliak-Negami function
+ MEM_TYPE = 'RAYI' --> Raganathan-Yip function
+ MEM_TYPE = 'LIHY' --> linearized hydrodynamic function
+
+ * ALPHA : value of the Habriliak-Negami first parameter (in ]0,1])
+
+ * BETA : value of the Habriliak-Negami second parameter (in ]0,1])
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * PL_DISP : method used to compute the plasmon dispersion (3D real case)
+ PL_DISP = 'HYDRODY' hydrodynamic model
+ PL_DISP = 'RP1_MOD' RPA model up to q^2
+ PL_DISP = 'RP2_MOD' RPA model up to q^4
+ PL_DISP = 'GOA_MOD' Gorobchenko model
+ PL_DISP = 'HER_APP' Hertel-Appel model <-- T-dependent
+ PL_DISP = 'HUBBARD' Hubbard model
+ PL_DISP = 'ELASTIC' elastic model
+ PL_DISP = ' EXACT' computed from the dielectric function
+ PL_DISP = 'SGBBN_M' SGBBN model
+ PL_DISP = 'AL0_MOD' gamma_0 limit
+ PL_DISP = 'ALI_MOD' gamma_inf limit
+ PL_DISP = 'NOP_MOD' Nozières-Pines model
+ PL_DISP = 'UTI_MOD' Utsumi-Ichimaru model
+ PL_DISP = 'TWA_MOD' Toigo-Woodruff model
+ PL_DISP = 'SUM_RU2' f-sum_rule
+ PL_DISP = 'SUM_RU3' 3rd-frequency sum_rule
+ * PL_DISP : method used to compute the plasmon dispersion (2D real case)
+ PL_DISP = 'HYDRODY' hydrodynamic model
+ PL_DISP = 'RPA_MOD' RPA model
+ PL_DISP = 'RAJAGOP' Rajagopal formula
+ * PL_DISP : method used to compute the plasmon dispersion (1D real case)
+ PL_DISP = 'HYDRODY' hydrodynamic model
+ PL_DISP = 'RPA_MOD' RPA model
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * GSTDY : static vs dynamic local-field corrections
+ GSTDY = ' STATIC' --> GQ_TYPE
+ GSTDY = 'DYNAMIC' --> GQO_TYPE
+
+ * GQ_TYPE : local-field correction type (3D) static
+ GQ_TYPE = 'NONE' no local field correction
+ GQ_TYPE = 'ALDA' adiabatic local density
+ GQ_TYPE = 'ALFL' Alvarellos-Flores
+ GQ_TYPE = 'BEBR' Bedell-Brown
+ GQ_TYPE = 'CDOP' TDDFT Corradini et al correction
+ GQ_TYPE = 'GEV2' Geldart-Vosko 2
+ GQ_TYPE = 'GEVO' Geldart-Vosko correction
+ GQ_TYPE = 'GOCA' Gold-Calmels
+ temperature-dep. --> GQ_TYPE = 'HNCA' hypernetted chain
+ GQ_TYPE = 'HORA' Holas-Rahman
+ GQ_TYPE = 'HUBB' Hubbard correction (only exchange)
+ GQ_TYPE = 'ICUT' Ichimaru-Utsumi correction
+ GQ_TYPE = 'IKPA' Iwamoto-Krotscheck-Pines
+ GQ_TYPE = 'IWA1' Iwamoto G_{-1}
+ GQ_TYPE = 'IWA2' Iwamoto G_{3} approx.
+ temperature-dep. --> GQ_TYPE = 'IWA3' Iwamoto G_{-1}
+ GQ_TYPE = 'IWA4' Iwamoto G_{3} exact
+ GQ_TYPE = 'JGDG' Jung-Garcia-Gonzalez-Dobson-Godby
+ GQ_TYPE = 'KLLA' Kleinman-Langreth correction
+ GQ_TYPE = 'LDAC' LDA correction
+ GQ_TYPE = 'MCSC' Moroni-Ceperley-Senatore correction
+ GQ_TYPE = 'NAGY' Nagy correction
+ GQ_TYPE = 'NEV1' Nevalinna two-moment approximation
+ GQ_TYPE = 'PGGA' Petersilka-Gossmann-Gross
+ GQ_TYPE = 'PVHF' Pavas-Vashishta Hartree-Fock correction
+ GQ_TYPE = 'RICE' Rice correction
+ GQ_TYPE = 'SHAW' Shaw correction
+ GQ_TYPE = 'SLAT' Slater correction
+ GQ_TYPE = 'STLS' Singwi et al correction
+ temperature-dep. --> GQ_TYPE = 'TKAC' Tkachenko correction
+ GQ_TYPE = 'TOUL' Toulouse parametrization of CDOP
+ GQ_TYPE = 'TRMA' Tripathy-Mandal
+ GQ_TYPE = 'VASI' Vashishta-Singwi correction
+ GQ_TYPE = 'UTI1' Utsumi-Ichimaru correction (only exchange)
+
+ * GQ_TYPE : local-field correction type (2D) static
+ GQ_TYPE = 'NONE' no local field correction
+ GQ_TYPE = 'BUTO' Bulutay-Tomak
+ GQ_TYPE = 'DPGT' Davoudi-Giuliani-Giuliani-Tosi
+ GQ_TYPE = 'GOCA' Gold-Calmels
+ GQ_TYPE = 'HUBB' Hubbard correction (only exchange)
+ GQ_TYPE = 'IWA1' Iwamoto G_{-1}
+ GQ_TYPE = 'IWA2' Iwamoto G_{3}
+ GQ_TYPE = 'SAIC' Sato-Ichimaru correction
+
+ * GQ_TYPE : local-field correction type (1D) static
+ GQ_TYPE = 'NONE' no local field correction
+ GQ_TYPE = 'GOCA' Gold-Calmels
+ GQ_TYPE = 'HUBB' Hubbard correction (only exchange)
+
+ * IQ_TYPE : type of approximation for I(q)
+ IQ_TYPE = 'NON' I(q) = 0
+ IQ_TYPE = 'GKM' Gorobchenko-Kohn-Maksimov
+ IQ_TYPE = 'HKA' Hong-Kim
+ IQ_TYPE = 'IKP' Iwamoto-Krotscheck-Pines parametrization
+ IQ_TYPE = 'KU1' Kugler 1
+ IQ_TYPE = 'KU2' Kugler 1
+
+ ~
+
+ * LANDAU : model chosen for the calculation of the Landau parameters (3D)
+ LANDAU = 'NONE' Landau's theory not used
+ LANDAU = 'CHEN' Chen's approach
+ LANDAU = 'RASC' Rayleigh-Schrödinger expansion
+ LANDAU = 'ANBR' Anderson-Brinkman model
+ LANDAU = 'GUTZ' Gutzwiller model
+ LANDAU = 'IWPI' Iwamoto-Pines model (hard-sphere)
+ LANDAU = 'GCYO' Giuliani-Vignale parametrization of
+ Yasuhara-Ousaka approach
+ LANDAU = 'SBOH' slave-boson one-band Hubbard model
+
+ * LANDAU : model chosen for the calculation of the Landau parameters (2D)
+ LANDAU = 'NONE' Landau's theory not used
+ LANDAU = 'ERZA' Engelbrecht-Randeria-Zhang approach
+ LANDAU = 'GVYO' Giuliani-Vignale parametrization of
+ Yasuhara-Ousaka approach
+ LANDAU = 'KCMP' Kwoon-Ceperley-Martin parametrization
+ * GQO_TYPE : local-field correction type (3D)
+ GQO_TYPE = 'NONE' no local field correction
+ GQO_TYPE = 'ALFL' Alvarellos-Flores correction
+ GQO_TYPE = 'BACA' Barriga-Carrasco correction
+ GQO_TYPE = 'BBSA' Bachlechner-Böhm-Schinner
+ GQO_TYPE = 'COPI' Constantin-Pitarke
+ GQO_TYPE = 'DABR' Dabrowski
+ GQO_TYPE = 'FWRA' Forstmann-Wierling-Röpke
+ GQO_TYPE = 'HOK1' Hong-Kim correction
+ GQO_TYPE = 'HOK2' Hong-Kim correction
+ GQO_TYPE = 'JEWS' Jewsbury approximation
+ GQO_TYPE = 'KUG1' Kugler q --> 0 approximation
+ GQO_TYPE = 'KUG2' Kugler approximation
+ GQO_TYPE = 'MDGA' Mithen-Daligault-Gregori
+ GQO_TYPE = 'NEV2' Nevalinna three-moment approximation
+ GQO_TYPE = 'NLGA' Nagy-Laszlo-Giber approximation
+ GQO_TYPE = 'RIA1' Richardson-Ashcroft G_s
+ GQO_TYPE = 'RIA2' Richardson-Ashcroft G_n
+ GQO_TYPE = 'RIA3' Richardson-Ashcroft G_a
+ GQO_TYPE = 'SHMU' Shah-Mukhopadhyay
+ GQO_TYPE = 'STGU' Sturm-Gusarov
+ GQO_TYPE = 'TOWO' Toigo-Woodruff
+ GQO_TYPE = 'UTI2' Utsumi-Ichimaru approximation
+ GQO_TYPE = 'VISC' viscosity approximation
+
+ * G0_TYPE : type of calculation of gamma_0
+ G0_TYPE = 'SQ' from the static structure factor S(q)
+ G0_TYPE = 'EC' from the correlation energy E_c
+
+ * GI_TYPE : type of calculation of gamma_inf
+ GI_TYPE = 'SQ' from the static strcuture factor S(q)
+ GI_TYPE = 'EC' from the correlation energy E_c
+
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * DAMPING : type of damping used
+ DAMPING = 'NONE' no damping
+ DAMPING = 'LFTM' lifetime
+ DAMPING = 'RELA' relaxation time
+ DAMPING = 'DECA' decay rate
+ DAMPING = 'DIFF' diffusion coefficient
+ DAMPING = 'VISC' viscosity
+
+ * LT_TYPE : approximation used for lifetime (3D)
+ LT_TYPE = 'EXTE' given externally (D_VALUE,POWER)
+ LT_TYPE = 'DAVI' Davies formula
+ LT_TYPE = 'GALI' Galitskii formula
+ LT_TYPE = 'GIQU' Giuliani-Quinn formula
+ LT_TYPE = 'GIVI' Giuliani-Vignale formula
+ LT_TYPE = 'INPE' Inogamov-Petrov formula
+ LT_TYPE = 'LUBR' Lugovskoy-Bray formula
+ LT_TYPE = 'NAEC' Nagy-Echenique formula
+ LT_TYPE = 'QIVI' Qian-Vignale formula
+ LT_TYPE = 'EXTE' given externally (D_VALUE,POWER)
+ LT_TYPE = 'QUFE' Quinn-Ferrell formula
+
+ * LT_TYPE : approximation used for lifetime (2D)
+ LT_TYPE = 'GIQ1' Giuliani-Quinn formula for e-h loss
+ LT_TYPE = 'GIQ2' Giuliani-Quinn formula for plasmon loss
+ LT_TYPE = 'GIVI' Giuliani-Vignale formula
+ LT_TYPE = 'HAWR' Hawrylak formula
+ LT_TYPE = 'MELA' Menashe-Laikhtman formula
+ LT_TYPE = 'QIVI' Qian-Vignale formula
+
+ * RT_TYPE : relaxation time
+ RT_TYPE = ' NO' --> no relaxation time
+ RT_TYPE = 'EX1' --> given externally (D_VALUE_1,POWER_1)
+ RT_TYPE = 'EX2' --> given externally (D_VALUE_1,POWER_1,D_VALUE_2,POWER_2)
+ RT_TYPE = 'E-E' --> electron-electron interaction
+ RT_TYPE = 'E-P' --> electron-phonon interaction
+ RT_TYPE = 'E-I' --> electron-phonon impurity
+ RT_TYPE = 'ALL' --> all three taken into account
+
+ ~
+
+ * DR_TYPE : decay rate in 3D
+ DR_TYPE = 'EXTE' given externally (D_VALUE,POWER)
+ DR_TYPE = 'UTIC' --> Utsumi-Ichimaru approximation
+ DR_TYPE = 'VLAS' --> Vlasov approximation
+
+ * DC_TYPE : diffusion coefficient in 3D
+ DC_TYPE = 'EXTE' given externally (D_VALUE,POWER)
+ DC_TYPE = 'ASHO' --> Ashurst-Hoover
+
+ * VI_TYPE : viscosity in 3D
+ VI_TYPE = 'EXTE' given externally (D_VALUE,POWER)
+ VI_TYPE = 'AMPP' Angilella et al hard-sphere fluid --> T-dependent
+ VI_TYPE = 'DRBA' Daligault-Rasmussen-Baalrud (plasmas) --> T-dependent
+ VI_TYPE = 'KHRA' Khrapak for Yukawa fluid --> T-dependent
+ VI_TYPE = 'LHPO' Longuet-Higgins-Pope --> T-dependent
+ VI_TYPE = 'LLPA' Landau-Lifshitz-Pitaevskii--> T-dependent
+ VI_TYPE = 'SCHA' Schäfer --> T-dependent
+ VI_TYPE = 'SCHD' Schäfer (dynamic) --> T-dependent
+ VI_TYPE = 'SHTE' Shternin --> T-dependent
+ VI_TYPE = 'STEI' Steinberg low-temperature --> T-dependent
+
+ * VI_TYPE : viscosity in 2D
+ VI_TYPE = 'EXTE' given externally (D_VALUE,POWER)
+ VI_TYPE = 'SCHA' Schäfer --> T-dependent
+ graphene <-- VI_TYPE = 'KISC' Kiselev-Schmalian (dynamic) --> T-dependent
+ graphene <-- VI_TYPE = 'MSFA' Müller-Schmalian-Fritz --> T-dependent
+
+ ~
+
+ * EE_TYPE : e-e relaxation time in 3D
+ EE_TYPE = 'ALAR' --> Al'tshuler-Aronov (e-e + impurities)
+ EE_TYPE = 'ALA2' --> Al'tshuler-Aronov (e-e + impurities)
+ EE_TYPE = 'BACA' --> Barriga-Carrasco approximation (e-e)
+ EE_TYPE = 'FSTB' --> Fann et al approximation (e-e)
+ EE_TYPE = 'PIN1' --> Pines-Nozières 1st approx. (e-e)
+ EE_TYPE = 'PIN2' --> Pines-Nozières 2nd approx. (e-e)
+ EE_TYPE = 'QIV2' --> Qian-Vignale high-density limit(e-e)
+ EE_TYPE = 'QIVI' --> Qian-Vignale (e-e)
+ EE_TYPE = 'RASM' --> Rammer-Smith (e-e)
+ EE_TYPE = 'TAI0' --> Tanaka-Ichimaru approximation (e-e) --> q = 0
+ EE_TYPE = 'TAIQ' --> Tanaka-Ichimaru approximation (e-e) --> q-dependent
+ EE_TYPE = 'UTIC' --> Utsumi-Ichimaru approximation (e-e)
+
+
+ * EE_TYPE : relaxation time in 2D
+ EE_TYPE = 'ALA2' --> Al'tshuler-Aronov (e-e + impurities)
+ EE_TYPE = 'FUAB' --> Fukuyama-Abrahams (disordered metals)
+ graphene <-- EE_TYPE = 'LUFO' --> Lucas-Fong (e-e)
+ EE_TYPE = 'QIVI' --> Qian-Vignale (e-e)
+ EE_TYPE = 'RASM' --> Rammer-Smith (e-e)
+ heterostructures <-- EE_TYPE = 'REWI' --> Reizer-Wilkins (e-e)
+ EI_TYPE = 'SHAS' --> Sharma-Ashraf (e-e + impurities)
+ EE_TYPE = 'ZHDA' --> Zhang-Das Sarma (e-e)
+
+ * EE_TYPE : relaxation time in 1D
+ EE_TYPE = 'ALA2' --> Al'tshuler-Aronov (e-e + impurities)
+ EE_TYPE = 'SHAS' --> Sharma-Ashraf (e-e + impurities)
+
+ * EP_TYPE : e-phonon relaxation time in 3D
+ EP_TYPE = 'STEL' --> Steinberg low-temperature
+ EP_TYPE = 'STEH' --> Steinberg High-temperature
+
+ * EI_TYPE : e-impurit relaxation time in 3D
+ EI_TYPE = 'HEAP' --> Hertel-Appel approximation
+
+ ~
+
+ * IP_TYPE : ion plasma relaxation time in 3D
+ IP_TYPE = 'SEMO' --> Selchow-Morawetz approximation
+ IP_TYPE = 'SPIT' --> Spitzer approximation
+
+ * PD_TYPE : method used to compute the plasmon damping (3D)
+ PD_TYPE = 'NONE' --> no plasmon damping
+ PD_TYPE = 'CALL' --> Callen approximation
+ PD_TYPE = 'DGKA' --> DuBois-Gilinsky-Kivelson approximation
+ PD_TYPE = 'FEWA' --> Fetter and Walecka approximation
+ PD_TYPE = 'JEWS' --> Jewsbury approximation
+ PD_TYPE = 'LITI' --> Giuliani-Quinn lifetime approximation
+ PD_TYPE = 'MOPE' --> Molinari-Peerani approximation
+ PD_TYPE = 'NPSA' --> Ninham-Powel-Swanson approximation
+ PD_TYPE = 'SGAA' --> Segui-Gervasoni-Arista approximation
+
+ * QD_TYPE : method used to compute q-dependent relaxation time
+ QD_TYPE = 'NONE' --> no q-dependence
+ QD_TYPE = 'GAUS' --> Gaussian
+ QD_TYPE = 'LORE' --> Lorentzian
+
+ * ZETA : Value of Tanaka-Ichimaru parameter
+
+ ~
+
+ * D_VALUE_1: Value of the 1st damping coefficient (between 0 and 999.999)
+
+ * POWER_1 : power of ten to multiply D_VALUE_1 by
+ POWER = ' KILO'
+ POWER = ' MEGA'
+ POWER = ' GIGA'
+ POWER = ' TERA'
+ POWER = ' PETA'
+ POWER = ' EXA'
+ POWER = 'ZETTA'
+ POWER = 'MILLI'
+ POWER = 'MICRO'
+ POWER = ' NANO'
+ POWER = ' PICO'
+ POWER = 'FEMTO'
+ POWER = ' ATTO'
+ POWER = 'ZEPTO'
+ POWER = 'YOCTO'
+
+ * EK : kinetic energy of electron considered (in eV)
+ with respect to vacuum level
+
+ ~
+
+ * D_VALUE_2: Value of the 2nd damping coefficient (between 0 and 999.999)
+
+ * POWER_2 : power of ten to multiply D_VALUE_2 by
+ POWER = ' KILO'
+ POWER = ' MEGA'
+ POWER = ' GIGA'
+ POWER = ' TERA'
+ POWER = ' PETA'
+ POWER = ' EXA'
+ POWER = 'ZETTA'
+ POWER = 'MILLI'
+ POWER = 'MICRO'
+ POWER = ' NANO'
+ POWER = ' PICO'
+ POWER = 'FEMTO'
+ POWER = ' ATTO'
+ POWER = 'ZEPTO'
+ POWER = 'YOCTO'
+
+ * PCT : weight of first memory function (relaxation time D_VALUE_1)
+ 0.00 <= PCT <= 1.00
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * INT_POT : type of interaction potential (3D)
+ INT_POT = 'COULO' Coulomb interaction
+ INT_POT= 'YUKAW' Yukawa interaction
+ INT_POT= 'SOFTS' soft sphere
+ INT_POT= 'LNJNS' Lennard-Jones
+ INT_POT= 'HCLNJ' hard-core Lennard-Jones
+ INT_POT= 'KIHAR' Kihara
+ INT_POT= 'MIE_P' Mie
+ INT_POT= 'VANDW' Van der Waals
+ INT_POT= 'MORSE' Morse
+ INT_POT= 'G_EXP' generalised exponential
+ INT_POT= 'EXP_6' exp-6
+ INT_POT= 'MBUCK' modified Buckingham
+ INT_POT= 'N_COU' neutralised Coulomb
+ INT_POT= 'H_COR' hard-core
+ INT_POT= 'P_SPH' penetrable sphere
+ INT_POT= 'ST-JO' Starkloff-Joannopoulos soft-core
+ INT_POT= 'LR_OS' long-range oscillatory
+ INT_POT= 'STOCK' Stockmayer
+ INT_POT= 'RPAPO' RPA interaction
+ INT_POT = 'OVER1' Overhauser interaction
+ INT_POT = 'OVER2' modified Overhauser interaction
+ INT_POT = 'DEUTS' Deutsch interaction
+ INT_POT = 'PHOLE' particle-hole interaction
+ INT_POT = 'KELBG' Kelbg interaction
+
+ * S : length scale parameter of the potential (in Angström)
+
+ * EPS : depth of the potential (in units of k_B, i.e. in Kelvin)
+
+ * DELTA : polarisation of the fluid (dimensionless)
+
+ ~
+
+ * RC : potential core radius (in Angström)
+ * ALF : potential stiffness
+ * M : \ exponents for Kihara
+ * N : / and Mie potentials
+
+ ~
+
+ * A1 : \
+ * A2 : \ parameters for
+ * A3 : / long-range oscillatory potentials
+ * A4 : /
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * EP_C : electron-phonon coupling
+ * DEBYE_T : material Debye temperature
+
+ ~
+
+ * NA : number of atoms per unit volume
+ * MA : mass of the atoms
+ * RA : radius of the atoms
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * NI : impurity concentration
+ * EI_C : strength of impurity scattering
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+
+ * CF_TYPE : type of classical fluid calculation --> 3D
+ CF_TYPE = 'SHS' smooth hard spheres
+ CF_TYPE = 'RH1' rough hard spheres (Pidduck)
+ CF_TYPE = 'RH2' rough hard spheres (Condiff-Lu-Dahler)
+ CF_TYPE = 'RH3' rough hard spheres (McCoy-Sandler-Dahler)
+ CF_TYPE = 'DCE' dilute Chapman-Enskog
+ CF_TYPE = 'HCE' heavy (i.e. dense) Chapman-Enskog
+ CF_TYPE = 'LJF' Lennard-Jones fluid
+
+ CF_TYPE = 'DHD' dense hard disks --> 2D
+
+ * PF_TYPE : type of packing fraction --> 2D
+ PF_TYPE = 'HDM' --> hard disk model
+
+ --> 3D
+ PF_TYPE = 'HSM' --> hard sphere model
+ PF_TYPE = 'RCP' --> random closed-packed
+ PF_TYPE = 'FCC' --> FCC closed-packed
+ PF_TYPE = 'FRE' --> freezing
+ PF_TYPE = 'MEL' --> melting
+
+ * SL_TYPE : type of scattering length calculation
+ SL_TYPE = 'HSP' --> hard sphere potential
+ SL_TYPE = 'ASW' --> attractive square well (without bound state)
+ SL_TYPE = 'RSW' --> repulsive square well
+ SL_TYPE = 'DSP' --> delta-shell potential
+ SL_TYPE = 'AYP' --> attractive Yukawa potential
+ SL_TYPE = 'CCO' --> Coulomb cut-off potential
+ SL_TYPE = 'HUL' --> Hulthén potential
+
+ *=======+=========+=========+=========+=========+===========================*
+ * STRUCTURE FACTOR : *
+ *=======+=========+=========+=========+=========+===========================*
+
+
+ * SSTDY : static vs dynamic local-field corrections
+ SSTDY = ' STATIC' --> SQ_TYPE
+ SSTDY = 'DYNAMIC' --> SQO_TYPE
+
+ * SQ_TYPE : structure factor approximation (3D) --> static
+ SQ_TYPE = 'DEH' Debye-Hückel approximation
+ SQ_TYPE = 'GEA' generalized approximation
+ SQ_TYPE = 'GOR' Gorobchenko approximation
+ SQ_TYPE = 'GR2' computed from g(r) (GR_TO_SQ.f90 code)
+ SQ_TYPE = 'GSB' Gori-Giorgi-Sacchetti-Bachelet approximation
+ SQ_TYPE = 'HFA' Hartree-Fock approximation (only exchange)
+ SQ_TYPE = 'HUB' Hubbard approximation
+ SQ_TYPE = 'ICH' Ichimaru approximation
+ SQ_TYPE = 'LEE' Lee ideal Fermi gas
+ SQ_TYPE = 'MSA' mean spherical approximation
+ SQ_TYPE = 'PKA' Pietiläinen-Kallio
+ SQ_TYPE = 'RPA' RPA approximation
+ SQ_TYPE = 'SHA' Shaw approximation
+ SQ_TYPE = 'SIN' Singh
+ SQ_TYPE = 'SPA' Singh-Pathak
+ SQ_TYPE = 'TWA' Toigo-Woodruff approximation
+!
+ * SQO_TYPE : structure factor approximation (3D) --> dynamic
+ SQO_TYPE = 'ABA' Arista-Brandt approximation
+ SQO_TYPE = 'EPS' computed from dielectric function
+ SQO_TYPE = 'HFA' Hartree-Fock approximation
+ SQO_TYPE = 'HYD' hydrodynamic approximation
+ SQO_TYPE = 'IGA' ideal gas approximation
+ SQO_TYPE = 'ITA' Ichimaru-Tanaka approximation
+ SQO_TYPE = 'MFA' Hansen-McDonald-Pollock approximation
+ SQO_TYPE = 'MFD' memory function model
+ SQO_TYPE = 'NIC' Nakano-Ichimaru approximation
+ SQO_TYPE = 'UTI' Utsumi-Ichimaru approximation (3D)
+ SQO_TYPE = 'VLA' linearized Vlasov approximation
+
+ *=======+=========+=========+=========+=========+===========================*
+ * PAIR CORRELATION FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * GR_TYPE : pair correlation function approximation g(r) (3D)
+ GR_TYPE = 'CDF' from chain diagram formula of PDF (long distance)
+ GR_TYPE = 'DHA' Debye-Hückel approximation
+ GR_TYPE = 'DWA' DeWitt approximation
+ GR_TYPE = 'FBA' Frieman-Book approximation
+ GR_TYPE = 'HFA' Hartree-Fock approximation (only exchange)
+ GR_TYPE = 'HUB' Hubbard approximation
+ GR_TYPE = 'LLA' Lee-Long approximation
+ GR_TYPE = 'ORB' Ortiz-Ballone approximation
+ GR_TYPE = 'PDF' from pair distribution function
+ GR_TYPE = 'SHA' Shaw approximation
+ GR_TYPE = 'SQ2' computed from S(q) (SQ_TO_GR.f90 code)
+ GR_TYPE = 'WIG' Wigner approximation
+
+ * GR0_MODE : g(0) (3D)
+ GR0_MODE = 'CAGO' --> Calmels-Gold
+ GR0_MODE = 'DPGT' --> Davoudi-Polini-Giuliani-Tosi
+ GR0_MODE = 'HASA' --> Holas-Aravind-Singwi (small r_s)
+ GR0_MODE = 'ICHI' --> Ichimaru
+ GR0_MODE = 'KIMB' --> Kimball
+ GR0_MODE = 'OVE1' --> Overhauser 1
+ GR0_MODE = 'OVE2' --> Overhauser 2
+ GR0_MODE = 'QIAN' --> Qian
+ * GR0_MODE : g(0) (2D)
+ GR0_MODE = 'CAGO' --> Calmels-Gold
+ GR0_MODE = 'HAFO' --> Hartree-Fock
+ GR0_MODE = 'MOMA' --> Moreno-Marinescu
+ GR0_MODE = 'NSOA' --> Nagano-Singwi-Ohnishi
+ GR0_MODE = 'QIAN' --> Qian
+
+ *=======+=========+=========+=========+=========+===========================*
+ * PAIR DISTRIBUTION FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * RH_TYPE : pair distribution function approximation (3D)
+ RH_TYPE = 'CDI' chain diagram improved
+ RH_TYPE = 'CEG' classical electron gas
+ RH_TYPE = 'DEB' Debye electron gas
+ RH_TYPE = 'FUA' correct to order 2 in epsilon
+ RH_TYPE = 'SDC' short-distance correlations
+ RH_TYPE = 'WDA' watermelon diagrams summed
+
+ *=======+=========+=========+=========+=========+===========================*
+ * SPECTRAL FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ SPF_TYPE = 'NAIC' Nakano-Ichimaru approximation
+
+ *=======+=========+=========+=========+=========+===========================*
+ * ENERGY CALCULATIONS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * EC_TYPE : type of correlation energy functional (3D)
+ EC_TYPE = 'GEBR_W' --> Gell-Mann and Brueckner
+ EC_TYPE = 'CAMA_W' --> Carr and Maradudin
+ EC_TYPE = 'EHTY_G' --> Endo-Horiuchi-Takada-Yasuhara
+ EC_TYPE = 'HELU_G' --> Hedin and Lundqvist
+ EC_TYPE = 'VBHE_G' --> von Barth and Hedin
+ EC_TYPE = 'PEZU_G' --> Perdew and Zunger
+ EC_TYPE = 'WIGN_G' --> Wigner
+ EC_TYPE = 'NOPI_G' --> Nozières and Pines
+ EC_TYPE = 'LIRO_G' --> Lindgren and Rosen
+ EC_TYPE = 'PEZU_G' --> Perdew and Zunger
+ EC_TYPE = 'REHI_G' --> Rebei and Hitchon
+ EC_TYPE = 'GGSB_G' --> Gori-Giorgi-Sacchetti-Bachelet
+ EC_TYPE = 'PRKO_G' --> Proynov and Kong
+ EC_TYPE = 'GGSB_G' --> Vosko, Wilk and Nusair
+ EC_TYPE = 'VWNU_G' --> Perdew and Wang
+ EC_TYPE = 'HUBB_G' --> Hubbard
+ EC_TYPE = 'CHAC_G' --> Chachiyo
+ EC_TYPE = 'ISKO_T' --> Isihara and Kojima
+ * EC_TYPE : type of correlation energy functional (2D)
+ EC_TYPE = 'TACE_G' --> Tanatar-Ceperley
+ EC_TYPE = 'CPPA_G' --> Seidl-Perdew_Levy
+ EC_TYPE = 'AMGB_G' --> Attaccalite-Moroni-Gori-Giorgi-Bachelet
+ EC_TYPE = 'SEID_G' --> Seidl
+ EC_TYPE = 'LOOS_W' --> Loos
+ EC_TYPE = 'WIGN_G' --> Wigner
+ EC_TYPE = 'ISTO_T' --> Isihara-Toyoda
+ * EC_TYPE : type of correlation energy functional (1D)
+ EC_TYPE = 'LOOS_W' --> Loos
+ EC_TYPE = 'WIGN_G' --> Wigner
+
+
+ * FXC_TYPE : type of XC free energy functional --> 3D
+ FXC_TYPE = 'NO' --> None
+ FXC_TYPE = 'EB' --> Ebeling et al
+ FXC_TYPE = 'IC' --> Ichimaru et al
+ FXC_TYPE = 'KS' --> Karasiev et al
+ FXC_TYPE = 'VS' --> Vashishta and Singwi
+ FXC_TYPE = 'PD' --> Perrot and Dharma-Wardana
+ FXC_TYPE = 'EK' --> Ebeling-Kraeft-Kremp-Röpke
+
+ * EXC_TYPE : type of exchange-correlation energy functional --> 3D
+ EXC_TYPE = 'NO' --> None
+ EXC_TYPE = 'GT' --> Goedeker-Tetter-Hutter
+ EXC_TYPE = 'ST' -->
+ EXC_TYPE = 'BD' --> Brown-DuBois-Holzmann-Ceperley
+
+ ~
+
+
+ *=======+=========+=========+=========+=========+===========================*
+ * SPIN POLARIZATION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * IMODE : choice of spin parameters
+ IMODE = 1 : no spin polarization
+ IMODE = 2 : fully spin-polarized
+
+ * XI : spin polarization : (n+ - n-) / n
+
+ *=======+=========+=========+=========+=========+===========================*
+ * THERMODYNAMIC PROPERTIES : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * TH_PROP : type of calculation --> thermodynamic properties
+ TH_PROP = 'CLAS' : classical approximation
+ TH_PROP = 'QUAN' : quantum approximation
+
+ * GP_TYPE : grand partition function type (3D)
+ GP_TYPE = 'IK0' Isihara-Kojima formulation
+ GP_TYPE = 'RH0' Rebei-Hitchon formulation
+ GP_TYPE = 'IKM' Isihara-Kojima with magnetic field
+
+ * GP_TYPE : grand partition function type (2D)
+ GP_TYPE = 'I20' Isihara-Kojima formulation
+ GP_TYPE = 'I2M' Isihara-Kojima with magnetic field
+
+ *=======+=========+=========+=========+=========+===========================*
+ * ELECTRON MEAN FREE PATH : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * EK_INI : starting kinetic energy of electron in eV
+ * EK_FIN : final kinetic energy of electron in eV
+
+ *=======+=========+=========+=========+=========+===========================*
+ * CALCULATION OF MOMENTS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * N : order of moment
+ * M_TYPE : way S(q,omega) is computed
+ M_TYPE = 'EPS' from epsilon(q,omega)
+ M_TYPE = 'SQO' from S(q,omega)
+
+ *=======+=========+=========+=========+=========+===========================*
+ * INCOMING ION BEAM : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * Z_BEAM : charge of ions in incoming beam
+ * EK_BEAM : kinetic energy of incoming beam ions (eV)
+
+ *=======+=========+=========+=========+=========+===========================*
+ * OUTPUT CALCULATIONS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * I_DF : switch for dielectric function printing
+ I_DF = 0 : dielectric function not printed
+ I_DF = 1 : dielectric function printed in file 'diel_func.dat'
+
+ * I_PZ : switch for polarization function printing
+ I_PZ = 0 : polarization function not printed
+ I_PZ = 1 : polarization function printed in file 'pola_func.dat'
+
+ * I_SU : switch for susceptibility function printing
+ I_SU = 0 : susceptibility function not printed
+ I_SU = 1 : susceptibility function printed in file 'susc_func.dat'
+
+ * I_CD : switch for electrical conductivity printing
+ I_CD = 0 : electrical conductivity not printed
+ I_CD = 1 : electrical conductivity printed in file 'cond_func.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_PD : switch for plasmon dispersion printing
+ I_PD = 0 : plasmon dispersion not calculated
+ I_PD = 1 : plasmon dispersion printed in file 'plas_disp.dat'
+
+ * I_EH : switch for electron-hole dispersion printing
+ I_EH = 0 : electron-hole dispersion not calculated
+ I_EH = 1 : electron-hole dispersion printed in file 'elec_hole.dat'
+
+ * I_E2 : switch for two-electron-hole dispersion printing
+ I_E2 = 0 : two-electron-hole dispersion not calculated
+ I_E2 = 1 : two-electron-hole dispersion printed in file 'elec_hol2.dat'
+
+ * I_CK : switch for k-space e-e interaction potential printing
+ I_CK = 0 : potential not calculated
+ I_CK = 1 : potential printed in file 'int_pot_k.dat'
+
+ * I_CR : switch for real-space e-e interaction potential printing
+ I_CR = 0 : potential not calculated
+ I_CR = 1 : potential printed in file 'int_pot_r.dat'
+
+ * I_PK : switch for plasmon kinetic energy printing
+ I_PK = 0 : plasmon kinetic energy not calculated
+ I_PK = 1 : plasmon kinetic energy printed in file 'plas_kine.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_LF : switch for local-field corrections G(q,omega) printing
+ I_LF = 0 : local-field corrections not calculated
+ I_LF = 1 : local-field corrections printed in file 'loca_fiel.dat'
+
+ * I_IQ : switch for G(q,inf) printing
+ I_IQ = 0 : G(q,inf) not calculated
+ I_IQ = 1 : G(q,inf) printed in file 'ginf_fiel.dat'
+
+ * I_SF : switch for structure factor S(q,omega) printing
+ I_SF = 0 : structure factor not calculated
+ I_SF = 1 : structure factor printed in file 'stru_fact.dat'
+
+ * I_PC : switch for pair correlation function g(r) printing
+ I_PC = 0 : pair correlation function not calculated
+ I_PC = 1 : pair correlation function printed in file 'pair_corr.dat'
+
+ ~
+
+ * I_P2 : switch for pair distribution rho2(r) printing
+ I_P2 = 0 : pair distribution function not calculated
+ I_P2 = 1 : pair distribution function printed in file 'pair_dist.dat'
+
+ * I_VX : switch for vertex function Gamma(q,omega) printing
+ I_VX = 0 : vertex function not calculated
+ I_VX = 1 : vertex function printed in file 'vertex_fu.dat'
+
+ * I_DC : switch for plasmon damping coefficient Im[eps]/q^2 printing
+ I_DC = 0 : plasmon damping not calculated
+ I_DC = 1 : plasmon damping printed in file 'plas_damp.dat'
+
+ * I_MD : switch for momentum distribution printing
+ I_MD = 0 : momentum distribution not calculated
+ I_MD = 1 : momentum distribution printed in file 'mome_dist.dat'
+
+ ~
+
+ * I_LD : switch for Landau parameters printing
+ I_LD = 0 : Landau parameters not calculated
+ I_LD = 1 : Landau parameters printed in file 'landau_pa.dat'
+
+ * I_DP : switch for damping printing
+ I_DP = 0 : damping not calculated
+ I_DP = 1 : damping printed in file 'damp_file.dat'
+
+ * I_LT : switch for plasmon lifetime printing
+ I_LT = 0 : plasmon lifetime not calculated
+ I_LT = 1 : plasmon lifetime printed in file 'life_time.dat'
+
+ * I_BR : switch for plasmon broadening printing
+ I_BR = 0 : plasmon broadening not calculated
+ I_BR = 1 : plasmon broadening printed in file 'broadenin.dat'
+
+ ~
+
+ * I_PE : switch for plasmon energy printing
+ I_PE = 0 : plasmon energy not calculated
+ I_PE = 1 : plasmon energy printed in file 'plas_ener.dat'
+
+ * I_QC : switch for plasmon q-bounds printing
+ I_QC = 0 : plasmon q-bounds not calculated
+ I_QC = 1 : plasmon q-bounds printed in file 'qc_bounds.dat'
+
+ * I_RL : switch for relaxation time printing
+ I_RL = 0 : relaxation time not calculated
+ I_RL = 1 : relaxation time printed in file 'rela_time.dat'
+
+ * I_KS : switch for screening wave vector printing
+ I_KS = 0 : screening wave vector not calculated
+ I_KS = 1 : screening wave vector printed in file 'screen_wv.dat'
+
+ ~
+
+ * I_OQ : switch for omega = q * v_F printing
+ I_DY = 0 : omega = q * v_F not calculated
+ I_DY = 1 : omega = q * v_F printed in file 'omega_qvf.dat'
+
+ * I_ME : switch for moments of epsilon(q,omega) printing
+ I_ME = 0 : moments of epsilon not calculated
+ I_ME = 1 : moments of epsilon printed in file 'moments_e.dat'
+
+ * I_MS : switch for moments of S(q,omega) printing
+ I_MS = 0 : moments of structure factor not calculated
+ I_MS = 1 : moments of structure factor printed in file 'moments_s.dat'
+
+ * I_ML : switch for moments of loss function printing
+ I_ML = 0 : moments of loss function not calculated
+ I_ML = 1 : moments of loss function printed in file 'moments_l.dat'
+
+ ~
+
+ * I_MC : switch for moments of conductivity printing
+ I_MC = 0 : moments of conductivity not calculated
+ I_MC = 1 : moments of conductivity printed in file 'moments_c.dat'
+
+ * I_DE : switch for derivative of Re[ dielectric function ] printing
+ I_DE = 0 : derivative not calculated
+ I_DE = 1 : derivative printed in file 'deri_epsi.dat'
+
+ * I_ZE : switch for Re[ dielectric function ] = 0 printing
+ I_ZE = 0 : function not calculated
+ I_ZE = 1 : function printed in file 'ree0_file.dat'
+
+ * I_SR : switch for sum rules for epsilon printing
+ I_SR = 0 : sum rules not calculated
+ I_SR = 1 : sum rules printed in file 'sum_rules.dat'
+
+ ~
+
+ * I_CW : switch for confinement wave function printing
+ I_CW = 0 : confinement wave function not calculated
+ I_CW = 1 : confinement wave function printed in file 'confin_wf.dat'
+
+ * I_CF : switch for confinement potential printing
+ I_CF = 0 : confinement potential not calculated
+ I_CF = 1 : confinement potential printed in file 'confin_pt.dat'
+
+ * I_EM : switch for effective mass printing
+ I_EM = 0 : effective mass not calculated
+ I_EM = 1 : effective mass printed in file 'effe_mass.dat'
+
+ * I_MF : switch for mean free path printing
+ I_MF = 0 : mean free path not calculated
+ I_MF = 1 : mean free path printed in file 'mean_path.dat'
+
+ ~
+
+ * I_SP : switch for spectral function printing
+ I_SP = 0 : spectral function not calculated
+ I_SP = 1 : spectral function printed in file 'spec_func.dat'
+
+ * I_SE : switch for self-energy printing
+ I_SE = 0 : self-energy not calculated
+ I_SE = 1 : self-energy printed in file 'self_ener.dat'
+
+ * I_SB : switch for subband energies printing
+ I_SB = 0 : subband energies not calculated
+ I_SB = 1 : subband energies printed in file 'subb_ener.dat'
+
+ * I_ES : switch for Eliashberg function printing
+ I_ES = 0 : Eliashberg function not calculated
+ I_ES = 1 : Eliashberg function printed in file 'elia_func.dat'
+
+ ~
+
+ * I_GR : switch for Grüneisen parameter printing
+ I_GR = 0 : Grüneisen parameter not calculated
+ I_GR = 1 : Grüneisen parameter printed in file 'grune_par.dat'
+
+ * I_FD : switch for Fermi-Dirac distribution printing
+ I_FD = 0 : Fermi-Dirac distribution not calculated
+ I_FD = 1 : Fermi-Dirac distribution printed in file 'fermi_dir.dat'
+
+ * I_BE : switch for Bose-Einstein distribution printing
+ I_BE = 0 : Bose-Einstein distribution not calculated
+ I_BE = 1 : Bose-Einstein distribution printed in file 'bose_eins.dat'
+
+ * I_MX : switch for Maxwell distribution printing
+ I_MX = 0 : Maxwell distribution not calculated
+ I_MX = 1 : Maxwell distribution printed in file 'maxwell_d.dat'
+
+ ~
+
+ * I_SC : switch for scale parameters printing
+ I_SC = 0 : scale parameters not calculated
+ I_SC = 1 : scale parameters printed in file 'scale_par.dat'
+
+ * I_DS : switch for density of states printing
+ I_DS = 0 : density of states not calculated
+ I_DS = 1 : density of states printed in file 'dens_stat.dat'
+
+ * I_NV : switch for Fourier domain Nevanlinaa/memory function printing
+ I_NV = 0 : Nevanlinaa function not calculated
+ I_NV = 1 : Nevanlinaa function printed in file 'neva_four.dat'
+
+ * I_MT : switch for time domain memory function printing
+ I_MT = 0 : memory function not calculated
+ I_MT = 1 : memory function printed in file 'memo_time.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_GP : switch for grand partition function printing
+ I_GP = 0 : grand partition function not calculated
+ I_GP = 1 : grand partition function printed in file 'gran_part.dat'
+
+ * I_PR : switch for electronic pressure printing
+ I_PR = 0 : electronic pressure not calculated
+ I_PR = 1 : electronic pressure printed in file 'epressure.dat'
+
+ * I_CO : switch for compressibility printing
+ I_CO = 0 : compressibility not calculated
+ I_CO = 1 : compressibility printed in file 'comp_file.dat'
+
+ * I_CP : switch for chemical potential printing
+ I_CP = 0 : chemical potential not calculated
+ I_CP = 1 : chemical potential printed in file 'chem_pote.dat'
+
+ ~
+
+ * I_BM : switch for bulk modulus printing
+ I_BM = 0 : bulk modulus not calculated
+ I_BM = 1 : bulk modulus printed in file 'bulk_modu.dat'
+
+ * I_SH : switch for shear modulus printing
+ I_SH = 0 : shear modulus not calculated
+ I_SH = 1 : shear modulus printed in file 'shear_mod.dat'
+
+ * I_S0 : switch for zero sound velocity printing
+ I_S0 = 0 : zero sound velocity not calculated
+ I_S0 = 1 : zero sound velocity printed in file 'zero_soun.dat'
+
+ * I_S1 : switch for first sound velocity printing
+ I_S1 = 0 : first sound velocity not calculated
+ I_S1 = 1 : first sound velocity printed in file 'firs_soun.dat'
+
+ ~
+
+ * I_DT : switch for Debye temperature printing
+ I_DT = 0 : Debye temperature not calculated
+ I_DT = 1 : Debye temperature printed in file 'Debye_tmp.dat'
+
+ * I_PS : switch for Pauli paramagnetic susceptibility printing
+ I_PS = 0 : Pauli paramagnetic susceptibility not calculated
+ I_PS = 1 : Pauli paramagnetic susceptibility printed in file 'para_susc.dat'
+
+ * I_IE : switch for internal energy printing
+ I_IE = 0 : internal energy not calculated
+ I_IE = 1 : internal energy printed in file 'inter_ene.dat'
+
+ * I_EI : switch for excess internal energy printing
+ I_EI = 0 : excess internal energy not calculated
+ I_EI = 1 : excess internal energy printed in file 'exces_ene.dat'
+
+ ~
+
+ * I_FH : switch for Helmholtz free energy printing
+ I_FH = 0 : Helmholtz free energy not calculated
+ I_FH = 1 : Helmholtz free energy printed in file 'helm_free.dat'
+
+ * I_EY : switch for entropy printing
+ I_EY = 0 : entropy not calculated
+ I_EY = 1 : entropy printed in file 'entropy_f.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_EF : switch for Fermi energy printing
+ I_EF = 0 : Fermi energy not calculated
+ I_EF = 1 : Fermi energy printed in file 'fermi_ene.dat'
+
+ * I_KF : switch for Fermi momentum printing
+ I_KF = 0 : Fermi momentum not calculated
+ I_KF = 1 : Fermi momentum printed in file 'fermi_vec.dat'
+
+ * I_VF : switch for Fermi velocity printing
+ I_VF = 0 : Fermi velocity not calculated
+ I_VF = 1 : Fermi velocity printed in file 'fermi_vel.dat'
+
+ * I_TE : switch for Fermi temperature printing
+ I_TE = 0 : Fermi temperature not calculated
+ I_TE = 1 : Fermi temperature printed in file 'fermi_tmp.dat'
+
+ ~
+
+ * I_DL : switch for density of states at Fermi level printing
+ I_DL = 0 : density of states at Fermi level not calculated
+ I_DL = 1 : density of states at Fermi level printed in file 'fermi_dos.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_TW : switch for thermal De Broglie wavelength printing
+ I_TW = 0 : thermal De Broglie wavelength not calculated
+ I_TW = 1 : thermal De Broglie wavelength printed in file 'thermal_w.dat'
+
+ * I_VT : switch for thermal velocity printing
+ I_VT = 0 : thermal velocity not calculated
+ I_VT = 1 : thermal velocity printed in file 'thermal_v.dat'
+
+ * I_TC : switch for thermal conductivity printing
+ I_TC = 0 : thermal conductivity not calculated
+ I_TC = 1 : thermal conductivity printed in file 'thermal_c.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_EG : switch for ground state energy printing
+ I_EG = 0 : ground state energy not calculated
+ I_EG = 1 : ground state energy printed in file 'ground_st.dat'
+
+ * I_EX : switch for exchange energy printing
+ I_EX = 0 : exchange energy not calculated
+ I_EX = 1 : exchange energy printed in file 'ex_energy.dat'
+
+ * I_XC : switch for exchange correlation energy printing
+ I_XC = 0 : exchange correlation energy not calculated
+ I_XC = 1 : exchange correlation energy printed in file 'xc_energy.dat'
+
+ * I_EC : switch for correlation energy printing
+ I_EC = 0 : correlation energy not calculated
+ I_EC = 1 : correlation energy printed in file 'corr_ener.dat'
+
+ ~
+
+ * I_HF : switch for Hartree-Fock energy printing
+ I_HF = 0 : Hartree-Fock energy not calculated
+ I_HF = 1 : Hartree-Fock energy printed in file 'hf_energy.dat'
+
+ * I_EK : switch for kinetic energy printing
+ I_EK = 0 : kinetic energy not calculated
+ I_EK = 1 : kinetic energy printed in file 'kine_ener.dat'
+
+ * I_EP : switch for potential energy printing
+ I_EP = 0 : potential energy not calculated
+ I_EP = 1 : potential energy printed in file 'pote_ener.dat
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_VI : switch for shear viscosity printing
+ I_VI = 0 : shear viscosity not calculated
+ I_VI = 1 : shear viscosity printed in file 'visc_coef.dat'
+
+ * I_DI : switch for diffusion coefficient printing
+ I_DI = 0 : diffusion coefficient not calculated
+ I_DI = 1 : diffusion coefficient printed in file 'diff_coef.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_FP : switch for fluctuation potential calculation
+ I_FP = 0 : fluctuation potential not calculated
+
+ I_FP = 1 : fluctuation potential printed in file 'fluct_pot.dat' (function of q) \ exact
+ I_FP = 2 : fluctuation potential printed in file 'fluct_pot.dat' (function of q and r) / dispersion
+
+ I_FP = 3 : fluctuation potential printed in file 'fluct_pot.dat' (function of q) \ PL_DISP
+ I_FP = 4 : fluctuation potential printed in file 'fluct_pot.dat' (function of q and r) / dispersion
+
+ * I_EL : switch for loss function calculation
+ I_EL = 0 : loss function not calculated
+ I_EL = 1 : loss function printed in file 'ener_loss.dat'
+
+ * I_PO : switch for stopping power calculation
+ I_PO = 0 : stopping power not calculated
+ I_PO = 1 : stopping power printed in file 'stop_powe.dat'
+
+ * I_RF : switch for refractive index calculation
+ I_RF = 0 : refractive index not calculated
+ I_RF = 1 : refractive index printed in file 'refrac_in.dat'
+
+ ~
+
+ * I_VC : switch for dynamic screened Coulomb potential V(q,omega) calculation
+ I_VC = 0 : dynamic screened Coulomb potential not calculated
+ I_VC = 1 : dynamic screened Coulomb potential printed in file 'dyna_coul.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_FN : switch for appending the calculation type string
+ to the output filename
+ I_FN = 0 : standard output filename
+ I_FN = 1 : parameter added to filename
+
+ * I_WR : switch for writing physical properties into the log file
+ I_WR = 0 : does not write
+ I_WR = 1 : writes
+ I_WR = 2 : writes only for first q-index
+
+ * I_TI : switch for writing integration tests into the log file
+ I_TI = -1 : writes all the tests
+ I_TI = 0 : does not write
+ I_TI = 1 : writes test for MODULE SPECIFIC_INT_1
+ I_TI = 2 : writes test for MODULE SPECIFIC_INT_2
+ I_TI = 3 : writes test for MODULE SPECIFIC_INT_3
+ I_TI = 4 : writes test for MODULE SPECIFIC_INT_4
+ I_TI = 5 : writes test for MODULE SPECIFIC_INT_5
+ I_TI = 6 : writes test for MODULE SPECIFIC_INT_6
+ I_TI = 7 : writes test for MODULE SPECIFIC_INT_7
+ I_TI = 8 : writes test for MODULE SPECIFIC_INT_8
+ I_TI = 9 : writes test for MODULE SPECIFIC_INT_9
+ I_TI = 10 : writes test for MODULE TEST_INT_HUBBARD
+
+
+
+ Description of the calculation parameters:
+
+ *=======+=========+=========+=========+=========+===========================*
+ * GENERAL PARAMETERS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * Q_MIN : minimum value of q (in units of k_F)
+ * Q_MAX : maximum value of q (in units of k_F)
+ * N_Q : number of q-points
+
+ * E_MIN : minimum value of energy (in units of E_F)
+ * E_MAX : maximum value of energy (in units of E_F)
+ * N_E : number of E-points
+
+ * R_MIN : minimum value of distance r (in units of 1/k_F)
+ * R_MAX : maximum value of distance r (in units of 1/k_F))
+ * N_R : number of r-points
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * RS : average distance between 2 electrons (in units of a0)
+ ~
+ * MSOM : m*/m (for semiconductors)
+ ~
+ * MAT_TYP : type of material
+ MAT_TYPE = 'SCHRO' standard solid
+ MAT_TYPE = 'DIRAC' massless Fermions
+ MAT_TYPE = 'WATER' liquid water
+ ~
+ * EPS_B : material's dielectric constant
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * T : temperature (in SI)
+ ~
+ * E : external electric field (in SI)
+ ~
+ * H : external magnetic field (in SI)
+ ~
+ * FLD : strength of the magnetic field
+ FLD = 'NO' no field
+ FLD = 'WF' weak field
+ FLD = 'IF' intermediate field
+ FLD = 'LF' large field
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * DIM : dimension of the system
+ DIM = '3D'
+ DIM = '2D'
+ DIM = '1D'
+ DIM = 'Q0' quasi-0D
+ DIM = 'Q1' quasi-1D
+ DIM = 'Q2' quasi-2D
+ DIM = 'BL' bilayer
+ DIM = 'ML' multilayer
+ DIM = 'ML' multilayer
+
+ ~
+
+ * R0 : wire radius
+ ~
+ * L : length of quantum well
+ ~
+ * OM0 : frequency of the confinement potential (SI)
+ ~
+ * CONFIN : type of confinement
+ CONFIN = 'NO-CONF' no confinement
+ CONFIN = 'DSEPLAY' layer within a stacking of layers
+ CONFIN = 'CC-1111' cylindrical within subband 1
+ CONFIN = 'CC-1122' cylindrical between subbands 1 and 2
+ CONFIN = 'CC-1221' cylindrical between subbands 1 and 2
+ CONFIN = 'CC-2222' cylindrical within subband 2
+ CONFIN = 'HC-1111' harmonic within subband 1
+ CONFIN = 'HC-1122' harmonic between subbands 1 and 2
+ CONFIN = 'HC-1221' harmonic between subbands 1 and 2
+ CONFIN = 'HC-2222' harmonic within subband 2
+ CONFIN = 'INVLAYE' inversion layer in semiconductor
+ CONFIN = 'IQWE_LB' square well with an infinite barrier
+ CONFIN = 'PC1_QWI' parabolic
+ CONFIN = 'PC2_QWI' parabolic
+ CONFIN = 'SOFTCOR' soft-core potential
+ CONFIN = 'SWC_QWI' square well with an infinite barrier
+
+ ~
+
+ * DL : interlayer distance
+ ~
+ * D1 : distance between the two layers in the unit cell
+ ~
+ * N_DEP : electron concentration in depletion layer (SI)
+ ~
+ * N_INV : electron concentration in inversion layer (SI)
+
+ ~
+
+ * H_TYPE : heterostructure type
+ H_TYPE = 'SSL1' semiconductor superlattice of type I
+ H_TYPE = 'SSL2' semiconductor superlattice of type II
+ H_TYPE = 'BILA' bilayer
+ H_TYPE = 'MLA1' multilayer with with one layer / unit cell
+ H_TYPE = 'MLA2' multilayer with with two layers / unit cell
+ ~
+ * EPS_1 : background/layer dielectric constant
+ ~
+ * EPS_2 : interlayer dielectric constant
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * UNIT : system unit
+ UNIT = 'SIU' international system
+ UNIT = 'CGS' CGS system
+ UNIT = 'ATU' atomic units
+
+ * UNIK : K unit
+ UNIK = 'SI' international system
+ UNIK = 'AU' atomic units
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * SC_TYPE : type of screeening
+ SC_TYPE = 'NO' no screening
+ SC_TYPE = 'DH' Debye-Hückel
+ SC_TYPE = 'KL' Kleinman
+ SC_TYPE = 'ST' Streitenberger
+ SC_TYPE = 'TF' Thomas-Fermi
+ SC_TYPE = 'UI' Utsumi-Ichimaru
+ SC_TYPE = 'YT' Yasuhara-Takada
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * PL_TYPE : type of plasma considered
+ PL_TYPE = 'OCP' --> one-component plasma (~ electron gas)
+ PL_TYPE = 'DCP' --> two-component plasma
+
+ * ZION : atomic number of (first) ion
+
+ * ZION2 : atomic number of second ion
+
+ *=======+=========+=========+=========+=========+===========================*
+ * DIELECTRIC FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+
+ * ESTDY : static vs dynamic dielectric function
+ STDY = ' STATIC'
+ STDY = 'DYNAMIC'
+
+ * EPS_T : type of dielcectric function
+ EPS_T = 'LONG' longitudinal --> D_FUNCL
+ EPS_T = 'TRAN' transverse --> D_FUNCT
+
+ * D_FUNC : model of dielectric function :
+
+ 1) Static:
+
+ ---> longitudinal:
+
+ D_FUNCL = 'LRPA' random phase approximation (3D,2D,1D)
+ D_FUNCL = 'THFE' Thomas-Fermi approximation (3D,2D,1D)
+
+ 2) Dynamic:
+
+ ---> transverse:
+
+ D_FUNCT = 'RPA1' random phase approximation (3D,2D)
+ D_FUNCT = 'RPA2' random phase approximation (3D)
+ D_FUNCT = 'LVLA' linearized Vlasov (3D)
+ D_FUNCT = 'MER1' Mermin (3D)
+ D_FUNCT = 'BLTZ' Boltzmann (3D)
+
+ ---> longitudinal:
+
+ D_FUNCL = 'ATAS' Atwal-Ashcroft <-- T-dependent
+ D_FUNCL = 'BLZ1' Boltzmann
+ D_FUNCL = 'BLZ2' damped Boltzmann
+ D_FUNCL = 'DACA' Arista-Brandt <-- T-dependent
+ D_FUNCL = 'HEAP' Hertel-Appel
+ D_FUNCL = 'HAFO' Hartree-Fock
+ D_FUNCL = 'HUCO' Hu-O'Connell <-- damping (3D,2D,Q1)
+ D_FUNCL = 'HYDR' hydrodynamic <-- damping
+ D_FUNCL = 'KLEI' Kleinman <-- T-dependent
+ D_FUNCL = 'KLKD' Klimontovich-Kraeft <-- T-dependent
+ D_FUNCL = 'KLKN' Klimontovich-Kraeft <-- T-dependent
+ D_FUNCL = 'LAND' Landau parameters-based
+ D_FUNCL = 'LVL1' linearized Vlasov (weak coupling) <-- T-dependent
+ D_FUNCL = 'LVL2' linearized Vlasov (strong coupling) <-- T-dependent
+ D_FUNCL = 'MER1' Mermin 1 <-- damping
+ D_FUNCL = 'MER2' Mermin 2 <-- T-dependent
+ D_FUNCL = 'MSAP' mean spherical approximation
+ D_FUNCL = 'NEVA' Nevanlinna <-- T-dependent
+ D_FUNCL = 'PLPO' plasmon pole
+ D_FUNCL = 'RDF1' Altshuler et al <-- damping
+ D_FUNCL = 'RDF2' Altshuler et al <-- damping
+ D_FUNCL = 'RPA1' RPA
+ D_FUNCL = 'RPA2' RPA <-- T-dependent
+ D_FUNCL = 'RPA3' random phase approximation <-- magnetic field (2D)
+ D_FUNCL = 'UTIC' Utsumi-Ichimaru <-- T-dependent
+ D_FUNCL = 'VLFP' Vlasov-Fokker-Planck <-- damping
+
+ * NEV_TYPE : type of Nevalinna function used (only for D_FUNCL = 'NEVA')
+ NEV_TYPE = 'NONE' --> no function
+ NEV_TYPE = 'STA1' --> static value h(q)
+ NEV_TYPE = 'STA2' --> static value h(q)
+ NEV_TYPE = 'CLCO' --> Classical Coulomb OCP
+ NEV_TYPE = 'AMTA' --> Adamjan-Meyer-Tkachenko
+ NEV_TYPE = 'PEEL' --> Perel'-Eliashberg function
+ NEV_TYPE = 'PE76' --> Perel'-Eliashberg by Arkhipov et al
+
+ ~
+
+ * I_T : way to incorporate temperature dependence
+ I_T = 0 --> no temperature (T = 0)
+ I_T = 1 --> analytical models used
+ I_T = 2 --> temperature convolution
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * PL_DISP : method used to compute the plasmon dispersion (3D real case)
+ PL_DISP = 'HYDRODY' hydrodynamic model
+ PL_DISP = 'RPA_MOD' RPA model
+ PL_DISP = 'TWA_MOD' Toigo-Woodruff model
+ PL_DISP = 'GOA_MOD' Gorobchenko model
+ PL_DISP = 'HUBBARD' Hubbard model
+ PL_DISP = 'ELASTIC' elastic model
+ PL_DISP = 'SGBBN_M' SGBBN model
+ PL_DISP = 'UTI_MOD' Utsumi-Ichimaru model
+ * PL_DISP : method used to compute the plasmon dispersion (2D real case)
+ PL_DISP = 'HYDRODY' hydrodynamic model
+ PL_DISP = 'RPA_MOD' RPA model
+ * PL_DISP : method used to compute the plasmon dispersion (1D real case)
+ PL_DISP = 'HYDRODY' hydrodynamic model
+ PL_DISP = 'RPA_MOD' RPA model
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * GSTDY : static vs dynamic local-field corrections
+ GSTDY = ' STATIC' --> GQ_TYPE
+ GSTDY = 'DYNAMIC' --> GQO_TYPE
+
+ * GQ_TYPE : local-field correction type (3D) static
+ GQ_TYPE = 'NONE' no local field correction
+ GQ_TYPE = 'ALDA' adiabatic local density
+ GQ_TYPE = 'ALFL' Alvarellos-Flores
+ GQ_TYPE = 'BEBR' Bedell-Brown
+ GQ_TYPE = 'CDOP' TDDFT Corradini et al correction
+ GQ_TYPE = 'GEV2' Geldart-Vosko 2
+ GQ_TYPE = 'GEVO' Geldart-Vosko correction
+ GQ_TYPE = 'GOCA' Gold-Calmels
+ temperature-dep. --> GQ_TYPE = 'HNCA' hypernetted chain
+ GQ_TYPE = 'HORA' Holas-Rahman
+ GQ_TYPE = 'HUBB' Hubbard correction (only exchange)
+ GQ_TYPE = 'ICUT' Ichimaru-Utsumi correction
+ GQ_TYPE = 'IKPA' Iwamoto-Krotscheck-Pines
+ GQ_TYPE = 'IWA1' Iwamoto G_{-1}
+ GQ_TYPE = 'IWA2' Iwamoto G_{3} approx.
+ temperature-dep. --> GQ_TYPE = 'IWA3' Iwamoto G_{-1}
+ GQ_TYPE = 'IWA4' Iwamoto G_{3} exact
+ GQ_TYPE = 'JGDG' Jung-Garcia-Gonzalez-Dobson-Godby
+ GQ_TYPE = 'KLLA' Kleinman-Langreth correction
+ GQ_TYPE = 'LDAC' LDA correction
+ GQ_TYPE = 'MCSC' Moroni-Ceperley-Senatore correction
+ GQ_TYPE = 'NAGY' Nagy correction
+ GQ_TYPE = 'PAVA' Pavas-Vashishta correction
+ GQ_TYPE = 'PGGA' Petersilka-Gossmann-Gross
+ GQ_TYPE = 'RICE' Rice correction
+ GQ_TYPE = 'SHAW' Shaw correction
+ GQ_TYPE = 'SLAT' Slater correction
+ GQ_TYPE = 'STLS' Singwi et al correction
+ temperature-dep. --> GQ_TYPE = 'TKAC' Tkachenko correction
+ GQ_TYPE = 'TRMA' Tripathy-Mandal
+ GQ_TYPE = 'VASI' Vashishta-Singwi correction
+ GQ_TYPE = 'UTI1' Utsumi-Ichimaru correction (only exchange)
+
+ * GQ_TYPE : local-field correction type (2D) static
+ GQ_TYPE = 'NONE' no local field correction
+ GQ_TYPE = 'BUTO' Bulutay-Tomak
+ GQ_TYPE = 'DPGT' Davoudi-Giuliani-Giuliani-Tosi
+ GQ_TYPE = 'GOCA' Gold-Calmels
+ GQ_TYPE = 'HUBB' Hubbard correction (only exchange)
+ GQ_TYPE = 'IWA1' Iwamoto G_{-1}
+ GQ_TYPE = 'IWA2' Iwamoto G_{3}
+ GQ_TYPE = 'SAIC' Sato-Ichimaru correction
+
+ * GQ_TYPE : local-field correction type (1D) static
+ GQ_TYPE = 'NONE' no local field correction
+ GQ_TYPE = 'GOCA' Gold-Calmels
+ GQ_TYPE = 'HUBB' Hubbard correction (only exchange)
+
+ * IQ_TYPE : type of approximation for I(q)
+ IQ_TYPE = 'GKM' Gorobchenko-Kohn-Maksimov
+ IQ_TYPE = 'HKA' Hong-Kim
+ IQ_TYPE = 'IKP' Iwamoto-Krotscheck-Pines parametrization
+ IQ_TYPE = 'KU1' Kugler 1
+ IQ_TYPE = 'KU2' Kugler 1
+
+ ~
+
+ * LANDAU : model chosen for the calculation of the Landau parameters (3D)
+ LANDAU = 'NONE' Landau's theory not used
+ LANDAU = 'CHEN' Chen's approach
+ LANDAU = 'RASC' Rayleigh-Schrödinger expansion
+ LANDAU = 'ANBR' Anderson-Brinkman model
+ LANDAU = 'GUTZ' Gutzwiller model
+ LANDAU = 'IWPI' Iwamoto-Pines model (hard-sphere)
+ LANDAU = 'GCYO' Giuliani-Vignale parametrization of
+ Yasuhara-Ousaka approach
+ LANDAU = 'SBOH' slave-boson one-band Hubbard model
+
+ * LANDAU : model chosen for the calculation of the Landau parameters (2D)
+ LANDAU = 'NONE' Landau's theory not used
+ LANDAU = 'ERZA' Engelbrecht-Randeria-Zhang approach
+ LANDAU = 'GVYO' Giuliani-Vignale parametrization of
+ Yasuhara-Ousaka approach
+ LANDAU = 'KCMP' Kwoon-Ceperley-Martin parametrization
+ * GQO_TYPE : local-field correction type (3D)
+ GQO_TYPE = 'NONE' no local field correction
+ GQO_TYPE = 'ALFL' Alvarellos-Flores correction
+ GQO_TYPE = 'BACA' Barriga-Carrasco correction
+ GQO_TYPE = 'BBSA' Bachlechner-Böhm-Schinner
+ GQO_TYPE = 'COPI' Constantin-Pitarke
+ GQO_TYPE = 'DABR' Dabrowski
+ GQO_TYPE = 'FWRA' Forstmann-Wierling-Röpke
+ GQO_TYPE = 'HOK1' Hong-Kim correction
+ GQO_TYPE = 'HOK2' Hong-Kim correction
+ GQO_TYPE = 'JEWS' Jewsbury approximation
+ GQO_TYPE = 'KUG1' Kugler q --> 0 approximation
+ GQO_TYPE = 'KUG2' Kugler approximation
+ GQO_TYPE = 'MDGA' Mithen-Daligault-Gregori
+ GQO_TYPE = 'NLGA' Nagy-Laszlo-Giber approximation
+ GQO_TYPE = 'RIA1' Richardson-Ashcroft G_s
+ GQO_TYPE = 'RIA2' Richardson-Ashcroft G_n
+ GQO_TYPE = 'RIA3' Richardson-Ashcroft G_a
+ GQO_TYPE = 'SHMU' Shah-Mukhopadhyay
+ GQO_TYPE = 'TOWO' Toigo-Woodruff
+ GQO_TYPE = 'UTI2' Utsumi-Ichimaru approximation
+ GQO_TYPE = 'VISC' viscosity approximation
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * DAMPING : type of damping used
+ DAMPING = 'NONE' no damping
+ DAMPING = 'LFTM' lifetime
+ DAMPING = 'RELA' relaxation time
+ DAMPING = 'DECA' decay rate
+ DAMPING = 'DIFF' diffusion coefficient
+ DAMPING = 'VISC' viscosity
+
+ * LT_TYPE : approximation used for lifetime (3D)
+ LT_TYPE = 'DAVI' Davies formula
+ LT_TYPE = 'GALI' Galitskii formula
+ LT_TYPE = 'GIQU' Giuliani-Quinn formula
+ LT_TYPE = 'GIVI' Giuliani-Vignale formula
+ LT_TYPE = 'INPE' Inogamov-Petrov formula
+ LT_TYPE = 'LUBR' Lugovskoy-Bray formula
+ LT_TYPE = 'NAEC' Nagy-Echenique formula
+ LT_TYPE = 'QIVI' Qian-Vignale formula
+ LT_TYPE = 'QUFE' Quinn-Ferrell formula
+
+ * LT_TYPE : approximation used for lifetime (2D)
+ LT_TYPE = 'GIQ1' Giuliani-Quinn formula for e-h loss
+ LT_TYPE = 'GIQ2' Giuliani-Quinn formula for plasmon loss
+ LT_TYPE = 'GIVI' Giuliani-Vignale formula
+ LT_TYPE = 'HAWR' Hawrylak formula
+ LT_TYPE = 'MELA' Menashe-Laikhtman formula
+ LT_TYPE = 'QIVI' Qian-Vignale formula
+
+ * RT_TYPE : relaxation time
+ RT_TYPE = ' NO' --> no relaxation time
+ RT_TYPE = 'E-E' --> electron-electron interaction
+ RT_TYPE = 'E-P' --> electron-phonon interaction
+ RT_TYPE = 'E-I' --> electron-phonon impurity
+ RT_TYPE = 'ALL' --> all three taken into account
+
+ ~
+
+ * DR_TYPE : decay rate in 3D
+ DR_TYPE = 'UTIC' --> Utsumi-Ichimaru approximation
+ DR_TYPE = 'VLAS' --> Vlasov approximation
+
+ * DC_TYPE : diffusion coefficient in 3D
+ DC_TYPE = 'ASHO' --> Ashurst-Hoover
+
+ * VI_TYPE : viscosity in 3D
+ VI_TYPE = 'AMPP' Angilella et al hard-sphere fluid --> T-dependent
+ VI_TYPE = 'DRBA' Daligault-Rasmussen-Baalrud (plasmas) --> T-dependent
+ VI_TYPE = 'KHRA' Khrapak for Yukawa fluid --> T-dependent
+ VI_TYPE = 'LHPO' Longuet-Higgins-Pope --> T-dependent
+ VI_TYPE = 'SCHA' Schäfer --> T-dependent
+ VI_TYPE = 'SCHD' Schäfer (dynamic) --> T-dependent
+ VI_TYPE = 'SHTE' Shternin --> T-dependent
+ VI_TYPE = 'STEI' Steinberg low-temperature --> T-dependent
+
+ * VI_TYPE : viscosity in 2D
+ VI_TYPE = 'SCHA' Schäfer --> T-dependent
+ graphene <-- VI_TYPE = 'KISC' Kiselev-Schmalian (dynamic) --> T-dependent
+ graphene <-- VI_TYPE = 'MSFA' Müller-Schmalian-Fritz --> T-dependent
+
+ ~
+
+ * EE_TYPE : e-e relaxation time in 3D
+ RT_TYPE = 'ALAR' --> Al'tshuler-Aronov (e-e + impurities)
+ RT_TYPE = 'BACA' --> Barriga-Carrasco approximation (e-e)
+ RT_TYPE = 'FSTB' --> Fann et al approximation (e-e)
+ RT_TYPE = 'QIVI' --> Qian-Vignale (e-e)
+ RT_TYPE = 'RASM' --> Rammer-Smith (e-e)
+ RT_TYPE = 'UTIC' --> Utsumi-Ichimaru approximation (e-e)
+ RT_TYPE = 'TAIC' --> Tanaka-Ichimaru approximation (e-e)
+
+
+ * EE_TYPE : relaxation time in 2D
+ EE_TYPE = 'FUAB' --> Fukuyama-Abrahams (disordered metals)
+ graphene <-- EE_TYPE = 'LUFO' --> Lucas-Fong (e-e)
+ EE_TYPE = 'QIVI' --> Qian-Vignale (e-e)
+ EE_TYPE = 'RASM' --> Rammer-Smith (e-e)
+ heterostructures <-- EE_TYPE = 'REWI' --> Reizer-Wilkins (e-e)
+ EI_TYPE = 'SHAS' --> Sharma-Ashraf (e-e + impurities)
+ EE_TYPE = 'ZHDA' --> Zhang-Das Sarma (e-e)
+
+ * EE_TYPE : relaxation time in 1D
+ EI_TYPE = 'SHAS' --> Sharma-Ashraf (e-e + impurities)
+
+ * EP_TYPE : e-phonon relaxation time in 3D
+ EP_TYPE = 'STEL' --> Steinberg low-temperature
+ EP_TYPE = 'STEH' --> Steinberg High-temperature
+
+ * EI_TYPE : e-impurit relaxation time in 3D
+ EI_TYPE = 'HEAP' --> Hertel-Appel approximation
+
+ ~
+
+ * IP_TYPE : ion plasma relaxation time in 3D
+ IP_TYPE = 'SEMO' --> Selchow-Morawetz approximation
+ IP_TYPE = 'SPIT' --> Spitzer approximation
+
+ * PD_TYPE : method used to compute the plasmon damping (3D)
+ PD_TYPE = 'NONE' --> no plasmon damping
+ PD_TYPE = 'CALL' --> Callen approximation
+ PD_TYPE = 'DGKA' --> DuBois-Gilinsky-Kivelson approximation
+ PD_TYPE = 'FEWA' --> Fetter and Walecka approximation
+ PD_TYPE = 'JEWS' --> Jewsbury approximation
+ PD_TYPE = 'LITI' --> Giuliani-Quinn lifetime approximation
+ PD_TYPE = 'MOPE' --> Molinari-Peerani approximation
+ PD_TYPE = 'NPSA' --> Ninham-Powel-Swanson approximation
+ PD_TYPE = 'SGAA' --> Segui-Gervasoni-Arista approximation
+
+ ~
+
+ * QD_TYPE : method used to compute q-dependent relaxation time
+ QD_TYPE = 'NONE' --> no q-dependence
+ QD_TYPE = 'GAUS' --> Gaussian
+ QD_TYPE = 'LORE' --> Lorentzian
+
+ * ZETA : Value of Tanaka-Ichimaru parameter
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * INT_POT : type of interaction potential (3D)
+ INT_POT = 'COULO' Coulomb interaction
+ INT_POT= 'YUKAW' Yukawa interaction
+ INT_POT= 'RPAPO' RPA interaction
+ INT_POT = 'OVER1' Overhauser interaction
+ INT_POT = 'OVER2' modified Overhauser interaction
+ INT_POT = 'DEUTS' Deutsch interaction
+ INT_POT = 'PHOLE' particle-hole interaction
+ INT_POT = 'KELBG' Kelbg interaction
+
+ * S :
+
+ * EPS :
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * EK : electron kinetic energy (eV)
+ * EP_C : electron-phonon coupling
+ * DEBYE_T : material Debye temperature
+
+ ~
+
+ * NA : number of atoms per unit volume
+ * MA : mass of the atoms
+ * RA : radius of the atoms
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * NI : impurity concentration
+ * EI_C : strength of impurity scattering
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+
+ * CF_TYPE : type of classical fluid calculation --> 3D
+ CF_TYPE = 'SHS' smooth hard spheres
+ CF_TYPE = 'RH1' rough hard spheres (Pidduck)
+ CF_TYPE = 'RH2' rough hard spheres (Condiff-Lu-Dahler)
+ CF_TYPE = 'RH3' rough hard spheres (McCoy-Sandler-Dahler)
+ CF_TYPE = 'DCE' dilute Chapman-Enskog
+ CF_TYPE = 'HCE' heavy (i.e. dense) Chapman-Enskog
+ CF_TYPE = 'LJF' Lennard-Jones fluid
+
+ CF_TYPE = 'DHD' dense hard disks --> 2D
+
+ * PF_TYPE : type of packing fraction --> 2D
+ PF_TYPE = 'HDM' --> hard disk model
+
+ --> 3D
+ PF_TYPE = 'HSM' --> hard sphere model
+ PF_TYPE = 'RCP' --> random closed-packed
+ PF_TYPE = 'FCC' --> FCC closed-packed
+ PF_TYPE = 'FRE' --> freezing
+ PF_TYPE = 'MEL' --> melting
+
+ * SL_TYPE : type of scattering length calculation
+ SL_TYPE = 'HSP' --> hard sphere potential
+ SL_TYPE = 'ASW' --> attractive square well (without bound state)
+ SL_TYPE = 'RSW' --> repulsive square well
+ SL_TYPE = 'DSP' --> delta-shell potential
+ SL_TYPE = 'AYP' --> attractive Yukawa potential
+ SL_TYPE = 'CCO' --> Coulomb cut-off potential
+ SL_TYPE = 'HUL' --> Hulthén potential
+
+ *=======+=========+=========+=========+=========+===========================*
+ * STRUCTURE FACTOR : *
+ *=======+=========+=========+=========+=========+===========================*
+
+
+ * SSTDY : static vs dynamic local-field corrections
+ SSTDY = ' STATIC' --> SQ_TYPE
+ SSTDY = 'DYNAMIC' --> SQO_TYPE
+
+ * SQ_TYPE : structure factor approximation (3D) --> static
+ SQ_TYPE = 'DEH' Debye-Hückel approximation
+ SQ_TYPE = 'GEA' generalized approximation
+ SQ_TYPE = 'GOR' Gorobchenko approximation
+ SQ_TYPE = 'GR2' computed from g(r) (GR_TO_SQ.f code)
+ SQ_TYPE = 'GSB' Gori-Giorgi-Sacchetti-Bachelet approximation
+ SQ_TYPE = 'HFA' Hartree-Fock approximation (only exchange)
+ SQ_TYPE = 'HUB' Hubbard approximation
+ SQ_TYPE = 'ICH' Ichimaru approximation
+ SQ_TYPE = 'MSA' mean spherical approximation
+ SQ_TYPE = 'PKA' Pietiläinen-Kallio
+ SQ_TYPE = 'RPA' RPA approximation
+ SQ_TYPE = 'SHA' Shaw approximation
+ SQ_TYPE = 'SIN' Singh
+ SQ_TYPE = 'SPA' Singh-Pathak
+ SQ_TYPE = 'TWA' Toigo-Woodruff approximation
+!
+ * SQO_TYPE : structure factor approximation (3D) --> dynamic
+ SQO_TYPE = 'ABA' Arista-Brandt approximation
+ SQO_TYPE = 'HFA' Hartree-Fock approximation
+ SQO_TYPE = 'HYD' hyrodynamic approximation
+ SQO_TYPE = 'IGA' ideal gas approximation
+ SQO_TYPE = 'ITA' Ichimaru-Tanaka approximation
+ SQO_TYPE = 'MFA' Hansen-McDonald-Pollock approximation
+ SQO_TYPE = 'NIC' Nakano-Ichimaru approximation
+ SQO_TYPE = 'UTI' Utsumi-Ichimaru approximation (3D)
+ SQO_TYPE = 'VLA' linearized Vlasov approximation
+
+ *=======+=========+=========+=========+=========+===========================*
+ * PAIR CORRELATION FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * GR_TYPE : pair correlation function approximation g(r) (3D)
+ GR_TYPE = 'CDF' from chain diagram formula of PDF (long distance)
+ GR_TYPE = 'DHA' Debye-Hückel approximation
+ GR_TYPE = 'DWA' DeWitt approximation
+ GR_TYPE = 'FBA' Frieman-Book approximation
+ GR_TYPE = 'HFA' Hartree-Fock approximation (only exchange)
+ GR_TYPE = 'HUB' Hubbard approximation
+ GR_TYPE = 'LLA' Lee-Long approximation
+ GR_TYPE = 'ORB' Ortiz-Ballone approximation
+ GR_TYPE = 'PDF' from pair distribution function
+ GR_TYPE = 'SHA' Shaw approximation
+ GR_TYPE = 'SQ2' computed from S(q) (SQ_TO_GR.f code)
+ GR_TYPE = 'WIG' Wigner approximation
+
+ * GR0_MODE : g(0) (3D)
+ GR0_MODE = 'CAGO' --> Calmels-Gold
+ GR0_MODE = 'DPGT' --> Davoudi-Polini-Giuliani-Tosi
+ GR0_MODE = 'HASA' --> Holas-Aravind-Singwi (small r_s)
+ GR0_MODE = 'ICHI' --> Ichimaru
+ GR0_MODE = 'KIMB' --> Kimball
+ GR0_MODE = 'OVE1' --> Overhauser 1
+ GR0_MODE = 'OVE2' --> Overhauser 2
+ GR0_MODE = 'QIAN' --> Qian
+ * GR0_MODE : g(0) (2D)
+ GR0_MODE = 'CAGO' --> Calmels-Gold
+ GR0_MODE = 'HAFO' --> Hartree-Fock
+ GR0_MODE = 'MOMA' --> Moreno-Marinescu
+ GR0_MODE = 'NSOA' --> Nagano-Singwi-Ohnishi
+ GR0_MODE = 'QIAN' --> Qian
+
+ *=======+=========+=========+=========+=========+===========================*
+ * PAIR DISTRIBUTION FUNCTION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * RH_TYPE : pair distribution function approximation (3D)
+ RH_TYPE = 'CDI' chain diagram improved
+ RH_TYPE = 'CEG' classical electron gas
+ RH_TYPE = 'DEB' Debye electron gas
+ RH_TYPE = 'FUA' correct to order 2 in epsilon
+ RH_TYPE = 'SDC' short-distance correlations
+ RH_TYPE = 'WDA' watermelon diagrams summed
+
+ *=======+=========+=========+=========+=========+===========================*
+ * ENERGY CALCULATIONS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * EC_TYPE : type of correlation energy functional (3D)
+ EC_TYPE = 'GEBR_W' --> Gell-Mann and Brueckner
+ EC_TYPE = 'CAMA_W' --> Carr and Maradudin
+ EC_TYPE = 'EHTY_S' --> Endo-Horiuchi-Takada-Yasuhara
+ EC_TYPE = 'HELU_W' --> Hedin and Lundqvist
+ EC_TYPE = 'VBHE_W' --> von Barth and Hedin
+ EC_TYPE = 'PEZU_W' --> Perdew and Zunger
+ EC_TYPE = 'WIGN_S' --> Wigner
+ EC_TYPE = 'NOPI_S' --> Nozières and Pines
+ EC_TYPE = 'LIRO_S' --> Lindgren and Rosen
+ EC_TYPE = 'PEZU_S' --> Perdew and Zunger
+ EC_TYPE = 'REHI_S' --> Rebei and Hitchon
+ EC_TYPE = 'GGSB_G' --> Gori-Giorgi-Sacchetti-Bachelet
+ EC_TYPE = 'PRKO_G' --> Proynov and Kong
+ EC_TYPE = 'VWNU_G' --> Vosko, Wilk and Nusair
+ EC_TYPE = 'PEWA_G' --> Perdew and Wang
+ EC_TYPE = 'HUBB_G' --> Hubbard
+ EC_TYPE = 'CHAC_G' --> Chachiyo
+ EC_TYPE = 'ISKO_T' --> Isihara and Kojima
+ * EC_TYPE : type of correlation energy functional (2D)
+ EC_TYPE = 'TACE_G' --> Tanatar-Ceperley
+ EC_TYPE = 'CPPA_G' --> Seidl-Perdew_Levy
+ EC_TYPE = 'AMGB_G' --> Attaccalite-Moroni-Gori-Giorgi-Bachelet
+ EC_TYPE = 'SEID_G' --> Seidl
+ EC_TYPE = 'LOOS_W' --> Loos
+ EC_TYPE = 'WIGN_S' --> Wigner
+ EC_TYPE = 'ISTO_T' --> Isihara-Toyoda
+ * EC_TYPE : type of correlation energy functional (1D)
+ EC_TYPE = 'LOOS_W' --> Loos
+ EC_TYPE = 'WIGN_S' --> Wigner
+
+
+ * FXC_TYPE : type of XC free energy functional --> 3D
+ FXC_TYPE = 'NO' --> None
+ FXC_TYPE = 'EB' --> Ebeling et al
+ FXC_TYPE = 'IC' --> Ichimaru et al
+ FXC_TYPE = 'KS' --> Karasiev et al
+ FXC_TYPE = 'VS' --> Vashishta and Singwi
+ FXC_TYPE = 'PD' --> Perrot and Dharma-Wardana
+ FXC_TYPE = 'EK' --> Ebeling-Kraeft-Kremp-Röpke
+
+ * EXC_TYPE : type of exchange-correlation energy functional --> 3D
+ EXC_TYPE = 'NO' --> None
+ EXC_TYPE = 'GT' --> Goedeker-Tetter-Hutter
+ EXC_TYPE = 'ST' -->
+ EXC_TYPE = 'BD' --> Brown-DuBois-Holzmann-Ceperley
+
+ ~
+
+
+ *=======+=========+=========+=========+=========+===========================*
+ * SPIN POLARIZATION : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * IMODE : choice of spin parameters
+ IMODE = 1 : no spin polarization
+ IMODE = 2 : fully spin-polarized
+
+ * XI : spin polarization : (n+ - n-) / n
+
+ *=======+=========+=========+=========+=========+===========================*
+ * THERMODYNAMIC PROPERTIES : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * TH_PROP : type of calculation --> thermodynamic properties
+ TH_PROP = 'CLAS' : classical approximation
+ TH_PROP = 'QUAN' : quantum approximation
+
+ * GP_TYPE : grand partition function type (3D)
+ GP_TYPE = 'IK0' Isihara-Kojima formulation
+ GP_TYPE = 'RH0' Rebei-Hitchon formulation
+ GP_TYPE = 'IKM' Isihara-Kojima with magnetic field
+
+ * GP_TYPE : grand partition function type (2D)
+ GP_TYPE = 'I20' Isihara-Kojima formulation
+ GP_TYPE = 'I2M' Isihara-Kojima with magnetic field
+
+ *=======+=========+=========+=========+=========+===========================*
+ * INCOMING ION BEAM : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * Z_BEAM : charge of ions in incoming beam
+ * EK_BEAM : kinetic energy of incoming beam ions (eV)
+
+ *=======+=========+=========+=========+=========+===========================*
+ * OUTPUT CALCULATIONS : *
+ *=======+=========+=========+=========+=========+===========================*
+
+ * I_DF : switch for dielectric function printing
+ I_DF = 0 : dielectric function not printed
+ I_DF = 1 : dielectric function printed in file 'diel_func.dat'
+
+ * I_PZ : switch for polarization function printing
+ I_PZ = 0 : polarization function not printed
+ I_PZ = 1 : polarization function printed in file 'pola_func.dat'
+
+ * I_SU : switch for susceptibility function printing
+ I_SU = 0 : susceptibility function not printed
+ I_SU = 1 : susceptibility function printed in file 'susc_func.dat'
+
+ * I_CD : switch for electrical conductivity printing
+ I_CD = 0 : electrical conductivity not printed
+ I_CD = 1 : electrical conductivity printed in file 'cond_func.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_PD : switch for plasmon dispersion printing
+ I_PD = 0 : plasmon dispersion not calculated
+ I_PD = 1 : plasmon dispersion printed in file 'plas_disp.dat'
+
+ * I_EH : switch for electron-hole dispersion printing
+ I_EH = 0 : electron-hole dispersion not calculated
+ I_EH = 1 : electron-hole dispersion printed in file 'elec_hole.dat'
+
+ * I_E2 : switch for two-electron-hole dispersion printing
+ I_E2 = 0 : two-electron-hole dispersion not calculated
+ I_E2 = 1 : two-electron-hole dispersion printed in file 'elec_hol2.dat'
+
+ * I_CK : switch for k-space e-e interaction potential printing
+ I_CK = 0 : potential not calculated
+ I_CK = 1 : potential printed in file 'int_pot_k.dat'
+
+ * I_CR : switch for real-space e-e interaction potential printing
+ I_CR = 0 : potential not calculated
+ I_CR = 1 : potential printed in file 'int_pot_r.dat'
+
+ * I_SA : switch for scattering amplitude printing
+ I_SA = 0 : scattering amplitude not calculated
+ I_SA = 1 : scattering amplitude printed in file 'scat_ampl.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_LF : switch for local-field corrections G(q,omega) printing
+ I_LF = 0 : local-field corrections not calculated
+ I_LF = 1 : local-field corrections printed in file 'loca_fiel.dat'
+
+ * I_IQ : switch for G(q,inf) printing
+ I_IQ = 0 : G(q,inf) not calculated
+ I_IQ = 1 : G(q,inf) printed in file 'ginf_fiel.dat'
+
+ * I_SF : switch for structure factor S(q,omega) printing
+ I_SF = 0 : structure factor not calculated
+ I_SF = 1 : structure factor printed in file 'stru_fact.dat'
+
+ * I_PC : switch for pair correlation function g(r) printing
+ I_PC = 0 : pair correlation function not calculated
+ I_PC = 1 : pair correlation function printed in file 'pair_corr.dat'
+
+ ~
+
+ * I_P2 : switch for pair distribution rho2(r) printing
+ I_P2 = 0 : pair distribution function not calculated
+ I_P2 = 1 : pair distribution function printed in file 'pair_dist.dat'
+
+ * I_VX : switch for vertex function Gamma(q,omega) printing
+ I_VX = 0 : vertex function not calculated
+ I_VX = 1 : vertex function printed in file 'vertex_fu.dat'
+
+ * I_DC : switch for plasmon damping coefficient Im[eps]/q^2 printing
+ I_DC = 0 : plasmon damping not calculated
+ I_DC = 1 : plasmon damping printed in file 'plas_damp.dat'
+
+ * I_MD : switch for momentum distribution printing
+ I_MD = 0 : momentum distribution not calculated
+ I_MD = 1 : momentum distribution printed in file 'mome_dist.dat'
+
+ ~
+
+ * I_LD : switch for Landau parameters printing
+ I_LD = 0 : Landau parameters not calculated
+ I_LD = 1 : Landau parameters printed in file 'landau_pa.dat'
+
+ * I_DP : switch for damping printing
+ I_DP = 0 : damping not calculated
+ I_DP = 1 : damping printed in file 'damp_file.dat'
+
+ * I_LT : switch for plasmon lifetime printing
+ I_LT = 0 : plasmon lifetime not calculated
+ I_LT = 1 : plasmon lifetime printed in file 'life_time.dat'
+
+ * I_BR : switch for plasmon broadening printing
+ I_BR = 0 : plasmon broadening not calculated
+ I_BR = 1 : plasmon broadening printed in file 'broadenin.dat'
+
+ ~
+
+ * I_PE : switch for plasmon energy printing
+ I_PE = 0 : plasmon energy not calculated
+ I_PE = 1 : plasmon energy printed in file 'plas_ener.dat'
+
+ * I_QC : switch for plasmon q-bounds printing
+ I_QC = 0 : plasmon q-bounds not calculated
+ I_QC = 1 : plasmon q-bounds printed in file 'qc_bounds.dat'
+
+ * I_RL : switch for relaxation time printing
+ I_RL = 0 : relaxation time not calculated
+ I_RL = 1 : relaxation time printed in file 'rela_time.dat'
+
+ * I_TF : switch for Thomas-Fermi wave vector printing
+ I_TF = 0 : Thomas-Fermi wave vector not calculated
+ I_TF = 1 : Thomas-Fermi wave vector printed in file 'thomas-fe.dat'
+
+ ~
+
+ * I_DY : switch for Debye wave vector printing
+ I_DY = 0 : Debye wave vector not calculated
+ I_DY = 1 : Debye wave vector printed in file 'debye_wav.dat'
+
+ * I_ME : switch for moments of epsilon(q,omega) printing
+ I_ME = 0 : moments of epsilon not calculated
+ I_ME = 1 : moments of epsilon printed in file 'moments_e.dat'
+
+ * I_MS : switch for moments of S(q,omega) printing
+ I_MS = 0 : moments of structure factor not calculated
+ I_MS = 1 : moments of structure factor printed in file 'moments_s.dat'
+
+ * I_ML : switch for moments of loss function printing
+ I_ML = 0 : moments of loss function not calculated
+ I_ML = 1 : moments of loss function printed in file 'moments_l.dat'
+
+ ~
+
+ * I_MC : switch for moments of conductivity printing
+ I_MC = 0 : moments of conductivity not calculated
+ I_MC = 1 : moments of conductivity printed in file 'moments_c.dat'
+
+ * I_DE : switch for derivative of Re[ dielectric function ] printing
+ I_DE = 0 : derivative not calculated
+ I_DE = 1 : derivative printed in file 'deri_epsi.dat'
+
+ * I_ZE : switch for Re[ dielectric function ] = 0 printing
+ I_ZE = 0 : function not calculated
+ I_ZE = 1 : function printed in file 'ree0_file.dat'
+
+ * I_SR : switch for sum rules for epsilon printing
+ I_SR = 0 : sum rules not calculated
+ I_ST = 1 : sum rules printed in file 'sum_rules.dat'
+
+ ~
+
+ * I_CW : switch for confinement wave function printing
+ I_CW = 0 : confinement wave function not calculated
+ I_CW = 1 : confinement wave function printed in file 'confin_wf.dat'
+
+ * I_CF : switch for confinement potential printing
+ I_CF = 0 : confinement potential not calculated
+ I_CF = 1 : confinement potential printed in file 'confin_pt.dat'
+
+ * I_EM : switch for effective mass printing
+ I_EM = 0 : effective mass not calculated
+ I_EM = 1 : effective mass printed in file 'effe_mass.dat'
+
+ * I_MF : switch for mean free path printing
+ I_MF = 0 : mean free path not calculated
+ I_MF = 1 : mean free path printed in file 'mean_path.dat'
+
+ ~
+
+ * I_SP : switch for spectral function printing
+ I_SP = 0 : spectral function not calculated
+ I_SP = 1 : spectral function printed in file 'spec_func.dat'
+
+ * I_SE : switch for self-energy printing
+ I_SE = 0 : self-energy not calculated
+ I_SE = 1 : self-energy printed in file 'self_ener.dat'
+
+ * I_NV : switch for Nevanlinaa function printing
+ I_NV = 0 : Nevanlinaa function not calculated
+ I_NV = 1 : Nevanlinaa function printed in file 'nevanlina.dat'
+
+ * I_ES : switch for Eliashberg function printing
+ I_ES = 0 : Eliashberg function not calculated
+ I_ES = 1 : Eliashberg function printed in file 'elia_func.dat'
+
+ ~
+
+ * I_GR : switch for Grüneisen parameter printing
+ I_GR = 0 : Grüneisen parameter not calculated
+ I_GR = 1 : Grüneisen parameter printed in file 'grune_par.dat'
+
+ * I_FD : switch for Fermi-Dirac distribution printing
+ I_FD = 0 : Fermi-Dirac distribution not calculated
+ I_FD = 1 : Fermi-Dirac distribution printed in file 'fermi_dir.dat'
+
+ * I_BE : switch for Bose-Einstein distribution printing
+ I_BE = 0 : Bose-Einstein distribution not calculated
+ I_BE = 1 : Bose-Einstein distribution printed in file 'bose_eins.dat'
+
+ * I_MX : switch for Maxwell distribution printing
+ I_MX = 0 : Maxwell distribution not calculated
+ I_MX = 1 : Maxwell distribution printed in file 'maxwell_d.dat'
+
+ ~
+
+ * I_SC : switch for scale parameters printing
+ I_SC = 0 : scale parameters not calculated
+ I_SC = 1 : scale parameters printed in file 'scale_par.dat'
+
+ * I_DS : switch for density of states printing
+ I_DS = 0 : density of states not calculated
+ I_DS = 1 : density of states printed in file 'dens_stat.dat'
+
+ * I_SB : switch for subband energies printing
+ I_SB = 0 : subband energies not calculated
+ I_SB = 1 : subband energies printed in file 'subb_ener.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_GP : switch for grand partition function printing
+ I_GP = 0 : grand partition function not calculated
+ I_GP = 1 : grand partition function printed in file 'gran_part.dat'
+
+ * I_PR : switch for electronic pressure printing
+ I_PR = 0 : electronic pressure not calculated
+ I_PR = 1 : electronic pressure printed in file 'epressure.dat'
+
+ * I_CO : switch for compressibility printing
+ I_CO = 0 : compressibility not calculated
+ I_CO = 1 : compressibility printed in file 'comp_file.dat'
+
+ * I_CP : switch for chemical potential printing
+ I_CP = 0 : chemical potential not calculated
+ I_CP = 1 : chemical potential printed in file 'chem_pote.dat'
+
+ ~
+
+ * I_BM : switch for bulk modulus printing
+ I_BM = 0 : bulk modulus not calculated
+ I_BM = 1 : bulk modulus printed in file 'bulk_modu.dat'
+
+ * I_SH : switch for shear modulus printing
+ I_SH = 0 : shear modulus not calculated
+ I_SH = 1 : shear modulus printed in file 'shear_mod.dat'
+
+ * I_S0 : switch for zero sound velocity printing
+ I_S0 = 0 : zero sound velocity not calculated
+ I_S0 = 1 : zero sound velocity printed in file 'zero_soun.dat'
+
+ * I_S1 : switch for first sound velocity printing
+ I_S1 = 0 : first sound velocity not calculated
+ I_S1 = 1 : first sound velocity printed in file 'firs_soun.dat'
+
+ ~
+
+ * I_DT : switch for Debye temperature printing
+ I_DT = 0 : Debye temperature not calculated
+ I_DT = 1 : Debye temperature printed in file 'Debye_tmp.dat'
+
+ * I_PS : switch for Pauli paramagnetic susceptibility printing
+ I_PS = 0 : Pauli paramagnetic susceptibility not calculated
+ I_PS = 1 : Pauli paramagnetic susceptibility printed in file 'para_susc.dat'
+
+ * I_IE : switch for internal energy printing
+ I_IE = 0 : internal energy not calculated
+ I_IE = 1 : internal energy printed in file 'inter_ene.dat'
+
+ * I_EI : switch for excess internal energy printing
+ I_EI = 0 : excess internal energy not calculated
+ I_EI = 1 : excess internal energy printed in file 'exces_ene.dat'
+
+ ~
+
+ * I_FH : switch for Helmholtz free energy printing
+ I_FH = 0 : Helmholtz free energy not calculated
+ I_FH = 1 : Helmholtz free energy printed in file 'helm_free.dat'
+
+ * I_EY : switch for entropy printing
+ I_EY = 0 : entropy not calculated
+ I_EY = 1 : entropy printed in file 'entropy_f.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_EF : switch for Fermi energy printing
+ I_EF = 0 : Fermi energy not calculated
+ I_EF = 1 : Fermi energy printed in file 'fermi_ene.dat'
+
+ * I_KF : switch for Fermi momentum printing
+ I_KF = 0 : Fermi momentum not calculated
+ I_KF = 1 : Fermi momentum printed in file 'fermi_vec.dat'
+
+ * I_VF : switch for Fermi velocity printing
+ I_VF = 0 : Fermi velocity not calculated
+ I_VF = 1 : Fermi velocity printed in file 'fermi_vel.dat'
+
+ * I_TE : switch for Fermi temperature printing
+ I_TE = 0 : Fermi temperature not calculated
+ I_TE = 1 : Fermi temperature printed in file 'fermi_tmp.dat'
+
+ ~
+
+ * I_DL : switch for density of states at Fermi level printing
+ I_DL = 0 subband energies: density of states at Fermi level not calculated
+ I_DL = 1 : density of states at Fermi level printed in file 'fermi_dos.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_TW : switch for thermal De Broglie wavelength printing
+ I_TW = 0 : thermal De Broglie wavelength not calculated
+ I_TW = 1 : thermal De Broglie wavelength printed in file 'thermal_w.dat'
+
+ * I_VT : switch for thermal velocity printing
+ I_VT = 0 : thermal velocity not calculated
+ I_VT = 1 : thermal velocity printed in file 'thermal_v.dat'
+
+ * I_TC : switch for thermal conductivity printing
+ I_TC = 0 : thermal conductivity not calculated
+ I_TC = 1 : thermal conductivity printed in file 'thermal_c.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_EG : switch for ground state energy printing
+ I_EG = 0 : ground state energy not calculated
+ I_EG = 1 : ground state energy printed in file 'ground_st.dat'
+
+ * I_EX : switch for exchange energy printing
+ I_EX = 0 : exchange energy not calculated
+ I_EX = 1 : exchange energy printed in file 'ex_energy.dat'
+
+ * I_XC : switch for exchange correlation energy printing
+ I_XC = 0 : exchange correlation energy not calculated
+ I_XC = 1 : exchange correlation energy printed in file 'xc_energy.dat'
+
+ * I_EC : switch for correlation energy printing
+ I_EC = 0 : correlation energy not calculated
+ I_EC = 1 : correlation energy printed in file 'corr_ener.dat'
+
+ ~
+
+ * I_HF : switch for Hartree-Fock energy printing
+ I_HF = 0 : Hartree-Fock energy not calculated
+ I_HF = 1 : Hartree-Fock energy printed in file 'hf_energy.dat'
+
+ * I_EK : switch for kinetic energy printing
+ I_EK = 0 : kinetic energy not calculated
+ I_EK = 1 : kinetic energy printed in file 'kine_ener.dat'
+
+ * I_EP : switch for potential energy printing
+ I_EP = 0 : potential energy not calculated
+ I_EP = 1 : potential energy printed in file 'pote_ener.dat
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_VI : switch for shear viscosity printing
+ I_VI = 0 : shear viscosity not calculated
+ I_VI = 1 : shear viscosity printed in file 'visc_coef.dat'
+
+ * I_DI : switch for diffusion coefficient printing
+ I_DI = 0 : diffusion coefficient not calculated
+ I_DI = 1 : diffusion coefficient printed in file 'diff_coef.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_FP : switch for fluctuation potential calculation
+ I_FP = 0 : fluctuation potential not calculated
+ I_FP = 1 : fluctuation potential printed in file 'fluct_pot.dat'
+
+ * I_EL : switch for loss function calculation
+ I_EL = 0 : loss function not calculated
+ I_EL = 1 : loss function printed in file 'ener_loss.dat'
+
+ * I_PO : switch for stopping power calculation
+ I_PO = 0 : stopping power not calculated
+ I_PO = 1 : stopping power printed in file 'stop_powe.dat'
+
+ * I_RF : switch for refractive index calculation
+ I_RF = 0 : refractive index not calculated
+ I_RF = 1 : refractive index printed in file 'refrac_in.dat'
+
+ ~
+
+ * I_VC : switch for dynamic screened Coulomb potential V(q,omega) calculation
+ I_RF = 0 : dynamic screened Coulomb potential not calculated
+ I_RF = 1 : dynamic screened Coulomb potential printed in file 'dyna_coul.dat'
+
+ *-------+---------+---------+---------+---------+---------------------------*
+
+ * I_FN : switch for appending the calculation type string
+ to the output filename
+ I_FN = 0 : standard output filename
+ I_FN = 1 : parameter added to filename
+
+ * I_WR : switch for writing physical properties into the log file
+ I_WR = 0 : does not write
+ I_WR = 1 : writes
+
+
+
+
+
+
+
+
+
+
+.SH BUGS
+No known bugs for now.
+.SH AUTHOR
+$AUTHORS$
diff --git a/src/python/msspec_dfm/__init__.py b/src/python/msspec_dfm/__init__.py
new file mode 100644
index 0000000..76f84ea
--- /dev/null
+++ b/src/python/msspec_dfm/__init__.py
@@ -0,0 +1,23 @@
+#!/usr/bin/env python
+# coding: utf-8
+#
+# Copyright © 2022 - Rennes Physics Institute
+#
+# This file is part of MsSpec-DFM.
+#
+# MsSpec-DFM is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# MsSpec-DFM is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with MsSpec-DFM. If not, see .
+#
+# Source file : src/python/msspec_dfm/__init__.py
+# Last modified: Fri, 25 Feb 2022 17:27:31 +0100
+# Committed by : Sylvain Tricot 1645806435 +0100
+
+from msspec_dfm.version import __version__
diff --git a/src/python/msspec_dfm/cli.py b/src/python/msspec_dfm/cli.py
new file mode 100644
index 0000000..3b49bfe
--- /dev/null
+++ b/src/python/msspec_dfm/cli.py
@@ -0,0 +1,50 @@
+#!/usr/bin/env python
+# coding: utf-8
+#
+# Copyright © 2022 - Rennes Physics Institute
+#
+# This file is part of MsSpec-DFM.
+#
+# MsSpec-DFM is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# MsSpec-DFM is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with MsSpec-DFM. If not, see .
+#
+# Source file : src/python/msspec_dfm/cli.py
+# Last modified: Fri, 25 Feb 2022 17:27:32 +0100
+# Committed by : Sylvain Tricot 1645806435 +0100
+
+import argparse
+import logging
+from msspec_dfm.version import __version__
+
+
+def main():
+ parser = argparse.ArgumentParser(description="Compute the dielectric function")
+ # The folder option is the default place where are the results
+ parser.add_argument('--folder', default='./Results',
+ help='The default place where are stored the results..')
+
+
+ parser.add_argument('--verbose', '-v', default=0, action='count',
+ help=('Increase verbosity output. Full verbosity'
+ ' for -vvv'))
+
+ parser.add_argument('--version', action='store_true',
+ help=('Show the program version.'))
+
+ args = parser.parse_args()
+
+ # adjust the verbosity level
+ verbosity_levels = [logging.ERROR, logging.WARNING, logging.INFO, logging.DEBUG]
+ logging.basicConfig(level=verbosity_levels[min(args.verbose, len(verbosity_levels)-1)])
+
+ if args.version:
+ print(__version__)
+ exit(0)
diff --git a/src/python/msspec_dfm/version.py b/src/python/msspec_dfm/version.py
new file mode 100644
index 0000000..b6899cf
--- /dev/null
+++ b/src/python/msspec_dfm/version.py
@@ -0,0 +1,54 @@
+#!/usr/bin/env python
+# coding: utf-8
+#
+# Copyright © 2022 - Rennes Physics Institute
+#
+# This file is part of MsSpec-DFM.
+#
+# MsSpec-DFM is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# MsSpec-DFM is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with MsSpec-DFM. If not, see .
+#
+# Source file : src/python/msspec_dfm/version.py
+# Last modified: Fri, 25 Feb 2022 17:27:32 +0100
+# Committed by : Sylvain Tricot 1645806435 +0100
+
+import os
+
+from pkg_resources import DistributionNotFound
+from pkg_resources import get_distribution
+from pkg_resources import parse_version
+
+# find the version number
+# 1- Try to read it from the git info
+# 2- If it fails, try to read it from the distribution file
+# 3- If it fails, try to read it from the VERSION file
+
+try:
+ from setuptools_scm import get_version
+ v = get_version(root='../../', relative_to=__file__, version_scheme="post-release")
+ v = parse_version(v)
+ if v._version.post[-1] == 0:
+ __version__ = v.base_version
+ else:
+ __version__ = v.public
+except Exception as err:
+ try:
+ __version__ = get_distribution(__name__.strip('.version')).version
+ except Exception as err:
+ try:
+ thisfile_path = os.path.abspath(__file__)
+ thisfile_dir = os.path.dirname(thisfile_path)
+ versionfile = os.path.join(thisfile_dir, "../VERSION")
+ with open(versionfile, "r") as fd:
+ __version__ = fd.readline()
+ except Exception as err:
+ #print("Unable to get the version number!")
+ __version__ = "0.0.0"
diff --git a/src/python/pip.freeze b/src/python/pip.freeze
new file mode 100644
index 0000000..6ccafc3
--- /dev/null
+++ b/src/python/pip.freeze
@@ -0,0 +1 @@
+matplotlib
diff --git a/src/python/setup.py b/src/python/setup.py
new file mode 100644
index 0000000..a6effab
--- /dev/null
+++ b/src/python/setup.py
@@ -0,0 +1,65 @@
+#!/usr/bin/env python
+#
+# Copyright © 2022 - Rennes Physics Institute
+#
+# This file is part of MsSpec-DFM.
+#
+# MsSpec-DFM is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+# MsSpec-DFM is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+# You should have received a copy of the GNU General Public License
+# along with MsSpec-DFM. If not, see .
+#
+# Source file : src/python/setup.py
+# Last modified: Fri, 25 Feb 2022 17:27:32 +0100
+# Committed by : Sylvain Tricot 1645806435 +0100
+
+import glob
+import sys
+from setuptools import setup, find_packages
+from msspec_dfm.version import __version__
+
+with open('pip.freeze', 'r') as fd:
+ REQUIREMENTS = fd.read().strip().split('\n')
+
+if __name__ == "__main__":
+ setup(name='msspec_dfm',
+ version=__version__,
+ include_package_data=True,
+ packages=find_packages(include='msspec_dfm.*'),
+ install_requires=REQUIREMENTS,
+ data_files = [('share/man/man1', glob.glob('man/*.gz'))],
+
+ author='Didier Sébilleau, Aditi Mandhal, Sylvain Tricot',
+ author_email='sylvain.tricot@univ-rennes1.fr',
+ maintainer='Sylvain Tricot',
+ maintainer_email='sylvain.tricot@univ-rennes1.fr',
+ url='https://git.ipr.univ-rennes1.fr/epsi/MsSpec-DFM',
+ description='',
+ long_description="",
+ #download_url='',
+ # See https://pypi.python.org/pypi?%3Aaction=list_classifiers
+ classifiers=[
+ 'Development Status :: 3 - Alpha',
+ 'Environment :: Console',
+ 'Intended Audience :: Science/Research',
+ 'License :: OSI Approved :: GNU General Public License (GPL)',
+ 'Natural Language :: English',
+ 'Operating System :: Microsoft :: Windows :: Windows 10',
+ 'Operating System :: POSIX :: Linux',
+ 'Operating System :: MacOS :: MacOS X',
+ 'Programming Language :: Fortran',
+ 'Programming Language :: Python :: 3 :: Only',
+ 'Topic :: Scientific/Engineering :: Physics',
+ ],
+ keywords='',
+ license='GPL',
+ entry_points={'console_scripts': [
+ 'eps=msspec_dfm.cli:main',],
+ },
+ )