Update the keys
This commit is contained in:
jean paul nshuti
parent
fc9159bc32
commit
05265f77a3
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@ -10,7 +10,7 @@ contains
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character(len=1) prefix(4)
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parameter (prefix=['N','P','A','S'])
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!character (len=20) key(4,25)
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integer,parameter:: np=34
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integer,parameter:: np=32
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character(len=16) parname(np)
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integer i,j
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! Defining keys for potential
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@ -24,59 +24,57 @@ contains
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parname(4)='LXYVA2O2'
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parname(5)='LXYVE1O2'
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parname(6)='LXYVE2O2'
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parname(7)='LXYVA2O3'
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parname(8)='LXYVE1O3'
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parname(9)='LXYVE2O3'
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! W & Z of E1
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parname(10)='LXYWZE1O0'
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parname(11)='LXYWZE1O1'
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parname(12)='LXYWZE1O2'
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parname(13)='LXYWZE1O3'
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parname(14)='LXYWZE2O0'
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parname(15)='LXYWZE2O1'
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parname(16)='LXYWZE2O2'
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parname(17)='LXYWZE2O3'
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parname(7)='LXYWZE1O0'
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parname(8)='LXYWZE1O1'
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parname(9)='LXYWZE1O2'
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parname(10)='LXYWZE2O0'
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parname(11)='LXYWZE2O1'
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parname(12)='LXYWZE2O2'
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! WW and Z Pseudo between E1 and E2
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! p STANDS FOR PSEUDO JAHN-TELLER
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parname(18)='LXYPE1E2O0'
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parname(19)='LXYPE1E2O1'
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parname(20)='LXYPE1E2O2'
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parname(13)='LXYPE1E2O0'
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parname(14)='LXYPE1E2O1'
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parname(15)='LXYPE1E2O2'
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! no order 3
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! PSEUDO A2 & E1
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parname(21)='LXYPA2E1O0'
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parname(22)='LXYPA2E1O1'
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parname(23)='LXYPA2E1O2'
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parname(16)='LXYPA2E1O0'
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parname(17)='LXYPA2E1O1'
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parname(18)='LXYPA2E1O2'
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! Pseudo JAHN-TELLER BETWEEN A2 AND E1
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parname(24)='LXYPA2E2O0'
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parname(25)='LXYPA2E2O1'
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parname(26)='LXYPA2E2O2'
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parname(27)='LXYPA2E2O3'
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parname(19)='LXYPA2E2O0'
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parname(20)='LXYPA2E2O1'
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parname(21)='LXYPA2E2O2'
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! keys for lz
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parname(28)='LZWZE1O1'
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parname(29)='LZWZE1O2'
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parname(30)='LZWZE2O1'
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parname(31)='LZWZE2O2'
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parname(33)='LZPE1E2O0'
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parname(34)='LZPE1E2O1'
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parname(35)='LZPE1E2O2'
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parname(36)='LZPA2E1O1'
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parname(37)='LZPA2E2O2'
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parname(39)='LZPA2E2O1'
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parname(22)='LZWZE1O1'
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parname(23)='LZWZE1O2'
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parname(24)='LZWZE2O1'
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parname(25)='LZWZE2O2'
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parname(26)='LZPE1E2O0'
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parname(27)='LZPE1E2O1'
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parname(28)='LZPE1E2O2'
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parname(29)='LZPA2E1O1'
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parname(30)='LZPA2E2O2'
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parname(31)='LZPA2E2O1'
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parname(34)='TYPE_CAL'! TYPE OF THE CALCULATION WHETHER IT IS THE TRACE OR SOMETHING ELSE
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parname(32)='TYPE_CAL'! TYPE OF THE CALCULATION WHETHER IT IS THE TRACE OR SOMETHING ELSE
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do i=1,np
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do j=1,4
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key(j, i)=prefix(j)//trim(parname(i))//':' ! first 86 keys are the potential keys
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key(j, i)=prefix(j)//trim(parname(i))//':'
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write(8,*) key(j,i)
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enddo
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write(8,*) ''
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enddo
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@ -6,6 +6,8 @@
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module diab_mod:
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use accuracy_constants, only: dp, idp
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use dim_parameter, only: ndiab, nstat, ntot,npar,qn,pst
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private
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public :: Lx_diab, Ly_diab, Lz_diab
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implicit none
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contains
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@ -15,9 +17,11 @@ module diab_mod:
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real(dp),dimension(:),intent(in):: q,t
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real(dp),dimension(npar),intent(in):: p
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real(dp):: xs,ys,xb,yb,a,b
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real(dp):: v3_vec(8)
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real(dp):: v3_vec(8), v2(6)
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integer(idp):: i,j,id
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! check the dimension of the matrix
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if (size(E,1) .ne. ndiab) then
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write(*,*) " Error in Lx_diab: wrong dimension of L matrix ", size(E,1)
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@ -26,7 +30,24 @@ module diab_mod:
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! rewrite the coordinate array q into symmetry adapted coordinates
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call rewrite_coord(q,a,xs,ys,xb,yb,b,1)
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v2(1)=xs**2-ys**2
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v2(2)=xb**2-yb**2
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v2(3)=xs*xb-ys*yb
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v2(4)=2*xs*ys
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v2(5)=2*xb*yb
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v2(6)=xs*yb+xb*ys
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v3( 1) = xs*(xs**2-3*ys**2)
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v3( 2) = xb*(xb**2-3*yb**2)
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v3( 3) = xb*(xs**2-ys**2) - 2*yb*xs*ys
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v3( 4) = xs*(xb**2-yb**2) - 2*ys*xb*yb
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v3( 5) = ys*(3*xs**2-ys**2)
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v3( 6) = yb*(3*xb**2-yb**2)
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v3( 7) = yb*(xs**2-ys**2)+2*xb*xs*ys
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v3( 8) = ys*(xb**2-yb**2)+2*xs*xb*yb
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e = 0.0_dp
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id = 1
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e(1,1)=e(1,1)+p(pst(1,id))*xs+p(pst(1,id)+1)*xb ! 2 param
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id=id+1 ! 2
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e(2,2)=e(2,2)+p(pst(1,id))*xs+p(pst(1,id)+1)*xb ! 2 p
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@ -50,43 +71,27 @@ module diab_mod:
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+p(pst(1,id)+2)*(xs*xb-ys*yb)
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e(5,5)=e(5,5)+p(pst(1,id))*(xs**2-ys**2)+p(pst(1,id)+1)*(xb**2-yb**2) &
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+p(pst(1,id)+2)*(xs*xb-ys*yb)
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! order 3
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id=id+1 ! 7
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e(1,1)=e(1,1)+p(pst(1,id))*xs*ss+p(pst(1,id)+1)*xb *sb ! 2 param
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id=id+1 ! 8
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e(2,2)=e(2,2)+p(pst(1,id))*xs*ss+p(pst(1,id)+1)*xb *sb ! 2 p
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e(3,3)=e(3,3)+p(pst(1,id))*xs*ss+p(pst(1,id)+1)*xb*sb
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id =id+1 ! 9
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e(4,4)=e(4,4)+p(pst(1,id))*xs*ss+p(pst(1,id)+1)*xb*sb ! 2 p
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e(5,5)=e(5,5)+p(pst(1,id))*xs*ss+p(pst(1,id)+1)*xb*sb
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! W and Z term of E1
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! order 0
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id=id+1 ! 10
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id=id+1 ! 7
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e(2,2)=e(2,2)+p(pst(1,id))
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e(3,3)=e(3,3)-p(pst(1,id))
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!e(2,3)=e(2,3)
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! order 1
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id=id+1 ! 11 ! 2 param
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id=id+1 ! 8 ! 2 param
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e(2,2)=e(2,2)+ p(pst(1,id))*xs+p(pst(1,id)+1)*xb
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e(3,3)=e(3,3)- (p(pst(1,id))*xs+p(pst(1,id)+1)*xb)
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e(2,3)=e(2,3)- p(pst(1,id))*ys -p(pst(1,id)+1)*yb
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! order 2
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id=id+1 ! 12 ! 3p
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id=id+1 ! 9 ! 3p
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do i=1,3
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e(2,2)=e(2,2)+p(pst(1,id)+(i-1))*v2(i)
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e(3,3)=e(3,3)-p(pst(1,id)+(i-1))*v2(i)
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e(2,3)=e(2,3)+ p(pst(1,id)+(i-1))*v2(i+3)
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enddo
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! order 3
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id=id+1 ! 13 ! 8 param
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do i=1,4
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e(2,2)=e(2,2)+(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
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e(3,3)=e(3,3)-(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
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e(2,3)=e(2,3)+(-p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i+4)
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enddo
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! try the testing of higher order terms
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!e(2,3)=e(2,3)- p(pst(1,id))*ys*ss +p(pst(1,id)+1)*ss*2*xs*ys
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@ -97,32 +102,24 @@ module diab_mod:
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! W and Z for E2
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
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id=id+1 ! 14
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id=id+1 ! 10
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e(4,4)=e(4,4)+p(pst(1,id))
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e(5,5)=e(5,5)-p(pst(1,id))
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e(4,5)=e(4,5)
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! order 1
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id=id+1 ! 2 param 15
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id=id+1 !112 param 15
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e(4,4)=e(4,4)+ p(pst(1,id))*xs+p(pst(1,id)+1)*xb
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e(5,5)=e(5,5)- (p(pst(1,id))*xs+p(pst(1,id)+1)*xb)
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e(4,5)=e(4,5)- p(pst(1,id))*ys-p(pst(1,id)+1)*yb
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! order 2
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id=id+1 ! 16 ! 3p
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id=id+1 ! 12 ! 3p
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do i=1,3
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e(4,4)=e(4,4)+p(pst(1,id)+(i-1))*v2(i)
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e(5,5)=e(5,5)-p(pst(1,id)+(i-1))*v2(i)
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e(4,5)=e(4,5)+ p(pst(1,id)+(i-1))*v2(i+3)
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enddo
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! order 3
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id=id+1 ! 17 ! 8 param
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do i=1,4
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e(4,4)=e(4,4)+(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
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e(5,5)=e(5,5)-(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
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e(4,5)=e(4,5)+(-p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i+4)
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enddo
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! make the dipole E = b* E
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e = b * e
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@ -131,20 +128,20 @@ module diab_mod:
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! WW and ZZ
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id =id+1 ! 18
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id =id+1 ! 13
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e(2,4)=e(2,4)+p(pst(1,id))*b
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e(3,5)=e(3,5)-p(pst(1,id))*b
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! ORDER 1
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id=id+1 ! 19 ! 6 parama
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id=id+1 ! 14 ! 6 parama
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e(2,4)=e(2,4)+b*((p(pst(1,id))+p(pst(1,id)+1)+p(pst(1,id)+2))*xs+(p(pst(1,id)+3)+p(pst(1,id)+4)+p(pst(1,id)+5))*xb)
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e(3,5)=e(3,5)+b*((p(pst(1,id))+p(pst(1,id)+1)-p(pst(1,id)+2))*xs+(p(pst(1,id)+3)+p(pst(1,id)+4)-p(pst(1,id)+5))*xb)
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e(2,5)=e(2,5)+b*((p(pst(1,id))-p(pst(1,id)+1)-p(pst(1,id)+2))*ys+(p(pst(1,id)+3)-p(pst(1,id)+4)-p(pst(1,id)+5))*yb)
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e(3,4)=e(3,4)+b*((-p(pst(1,id))+p(pst(1,id)+1)-p(pst(1,id)+2))*ys+(-p(pst(1,id)+3)+p(pst(1,id)+4)-p(pst(1,id)+5))*yb)
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! order 2
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id=id+1 ! 20
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id=id+1 ! 15
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do i=1,3 ! 9 param
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do i=1,3 ! param
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e(2,4)=e(2,4)+b*(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+2))+p(pst(1,id)+(i+5)))*v2(i)
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e(3,5)=e(3,5)+b*(-p(pst(1,id)+(i-1))+p(pst(1,id)+(i+2))+p(pst(1,id)+(i+5)))*v2(i)
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e(2,5)=e(2,5)+b*(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+2))-p(pst(1,id)+(i+5)))*v2(i+3)
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@ -155,17 +152,17 @@ module diab_mod:
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! ##################################################
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!###################################################
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! order 0
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id=id+1 ! 1 param ! 21
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id=id+1 ! 1 param ! 16
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e(1,3)=e(1,3)+b*(p(pst(1,id)))
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! order 1
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id = id +1 ! 22
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id = id +1 ! 17
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e(1,2)=e(1,2)-b*(p(pst(1,id))*ys + p(pst(1,id)+1)*yb)
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e(1,3)=e(1,3)+b*(p(pst(1,id))*xs + p(pst(1,id)+1)*xb)
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! order 2
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id=id+1 ! 23
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id=id+1 ! 18
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e(1,2)=e(1,2)+b*(p(pst(1,id))*(2*xs*ys)+p(pst(1,id)+1)*(2*xb*yb)+p(pst(1,id)+2)*(xs*yb+xb*ys))
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e(1,3)=e(1,3)+b*(p(pst(1,id))*(xs**2-ys**2) + p(pst(1,id)+1)*(xb**2-yb**2) &
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@ -176,28 +173,21 @@ module diab_mod:
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!##########################################################################################################
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! order 0
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id =id+1 !24
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id =id+1 !19
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e(1,5)=e(1,5)+p(pst(1,id))
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! order 1
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id = id +1 ! 25
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id = id +1 ! 20
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e(1,4)=e(1,4)-(p(pst(1,id))*ys + p(pst(1,id)+1)*yb)
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e(1,5)=e(1,5)+(p(pst(1,id))*xs + p(pst(1,id)+1)*xb)
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! order 2
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id=id+1 ! 26
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id=id+1 ! 21
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e(1,4)=e(1,4)+p(pst(1,id))*(2*xs*ys)+p(pst(1,id)+1)*(2*xb*yb)+p(pst(1,id)+2)*(xs*yb+xb*ys)
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e(1,5)=e(1,5)+p(pst(1,id))*(xs**2-ys**2) + p(pst(1,id)+1)*(xb**2-yb**2) &
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+p(pst(1,id)+2)*(xs*xb-ys*yb)
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! order 3
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id=id+1 ! 27 ! 8 param
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do i=1,4
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e(1,4)=e(1,4)+(p(pst(1,id)+(i-1))-p(pst(1,id)+(i+3)))*v3(i+4)
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e(1,5)=e(1,5)+(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
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enddo
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e(1,4:5) = b* e(1,4:5)
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@ -222,9 +212,12 @@ module diab_mod:
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! rewrite the coordinate array q into symmetry adapted coordinates
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call rewrite_coord(q,a,xs,ys,xb,yb,b,1)
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e=0.0d0
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ss=xs**2+ys**2 ! totaly symmetric term
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sb=xb**2+yb**2
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v2(1)=xs**2-ys**2
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v2(2)=xb**2-yb**2
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v2(3)=xs*xb-ys*yb
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v2(4)=2*xs*ys
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v2(5)=2*xb*yb
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v2(6)=xs*yb+xb*ys
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v3( 1) = xs*(xs**2-3*ys**2)
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v3( 2) = xb*(xb**2-3*yb**2)
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@ -233,9 +226,10 @@ module diab_mod:
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v3( 5) = ys*(3*xs**2-ys**2)
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v3( 6) = yb*(3*xb**2-yb**2)
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v3( 7) = yb*(xs**2-ys**2)+2*xb*xs*ys
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v3( 8) = ys*(xb**2-yb**2)+2*xs*xb*yb
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v3( 8) = ys*(xb**2-yb**2)+2*xs*xb*yb
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e=0.0d0
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e = 0.0_dp
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! V-term
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id=1 ! 1
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@ -256,87 +250,65 @@ module diab_mod:
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id=id+1 ! 6
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e(4,4)=e(4,4)-(p(pst(1,id))*(2*xs*ys)+p(pst(1,id)+1)*(2*xb*yb)+p(pst(1,id)+2)*(xs*yb+xb*ys))
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e(5,5)=e(5,5)-(p(pst(1,id))*(2*xs*ys)+p(pst(1,id)+1)*(2*xb*yb)+p(pst(1,id)+2)*(xs*yb+xb*ys))
|
||||
! order 3
|
||||
id=id+1 ! 7
|
||||
|
||||
e(1,1)=e(1,1)+p(pst(1,id))*ys*ss + p(pst(1,id)+1)*yb*sb
|
||||
id=id+1 ! 2
|
||||
e(2,2)=e(2,2)+p(pst(1,id))*ys*ss + p(pst(1,id)+1)*yb*sb
|
||||
e(3,3)=e(3,3)+p(pst(1,id))*ys*ss + p(pst(1,id)+1)*yb*sb
|
||||
id =id+1 ! 3
|
||||
e(4,4)=e(4,4)+p(pst(1,id))*ys*ss + p(pst(1,id)+1)*yb*sb
|
||||
e(5,5)=e(5,5)+p(pst(1,id))*ys*ss + p(pst(1,id)+1)*yb*sb
|
||||
|
||||
|
||||
! W and Z of E1
|
||||
! order 0
|
||||
id=id+1 ! 10
|
||||
id=id+1 ! 7
|
||||
e(2,3)=e(2,3)+p(pst(1,id))
|
||||
! order 1
|
||||
id=id+1 !
|
||||
id=id+1 ! 8
|
||||
e(2,2)=e(2,2)-p(pst(1,id))*ys -p(pst(1,id)+1)*yb
|
||||
e(3,3)=e(3,3)+p(pst(1,id))*ys+ p(pst(1,id)+1)*yb
|
||||
e(2,3)=e(2,3)-p(pst(1,id))*xs -p(pst(1,id)+1)*xb
|
||||
! order 2
|
||||
id=id+1 ! 12
|
||||
id=id+1 ! 9
|
||||
do i=1,3
|
||||
e(2,2)=e(2,2)+p(pst(1,id)+(i-1))*v2(i+3)
|
||||
e(3,3)=e(3,3)-p(pst(1,id)+(i-1))*v2(i+3)
|
||||
e(2,3)=e(2,3)-p(pst(1,id)+(i-1))*v2(i)
|
||||
enddo
|
||||
|
||||
id=id+1 ! 8
|
||||
do i=1,4
|
||||
e(2,2)=e(2,2)+(p(pst(1,id)+(i-1))-p(pst(1,id)+(i+3)))*v3(i+4)
|
||||
e(3,3)=e(3,3)-(p(pst(1,id)+(i-1))-p(pst(1,id)+(i+3)))*v3(i+4)
|
||||
e(2,3)=e(2,3)+(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
|
||||
enddo
|
||||
|
||||
|
||||
!! W and Z of E2
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
!!!!!!!!!!!!!!!!!!!!!!!!!!!!
|
||||
|
||||
! order 0
|
||||
id=id+1 ! 14
|
||||
id=id+1 ! 10
|
||||
e(4,5)=e(4,5)+p(pst(1,id))
|
||||
! order 1
|
||||
id=id+1 ! 15
|
||||
id=id+1 ! 11
|
||||
e(4,4)=e(4,4)-p(pst(1,id))*ys -p(pst(1,id)+1)*yb
|
||||
e(5,5)=e(5,5)+p(pst(1,id))*ys+ p(pst(1,id)+1)*yb
|
||||
e(4,5)=e(4,5)-p(pst(1,id))*xs -p(pst(1,id)+1)*xb
|
||||
! order 2
|
||||
id=id+1 ! 16
|
||||
id=id+1 ! 12
|
||||
do i=1,3
|
||||
e(4,4)=e(4,4)+p(pst(1,id)+(i-1))*v2(i+3)
|
||||
e(5,5)=e(5,5)-p(pst(1,id)+(i-1))*v2(i+3)
|
||||
e(4,5)=e(4,5)-p(pst(1,id)+(i-1))*v2(i)
|
||||
enddo
|
||||
|
||||
id=id+1 ! 17
|
||||
do i=1,4
|
||||
e(4,4)=e(4,4)+(p(pst(1,id)+(i-1))-p(pst(1,id)+(i+3)))*v3(i+4)
|
||||
e(5,5)=e(5,5)-(p(pst(1,id)+(i-1))-p(pst(1,id)+(i+3)))*v3(i+4)
|
||||
e(4,5)=e(4,5)+(p(pst(1,id)+(i-1))+p(pst(1,id)+(i+3)))*v3(i)
|
||||
enddo
|
||||
! PSEUDO JAHN-TELLER E1 AND E2
|
||||
|
||||
e = b* e
|
||||
|
||||
!ORDER 0
|
||||
id=id+1 ! 18
|
||||
id=id+1 ! 13
|
||||
|
||||
e(2,5)=e(2,5)+p(pst(1,id))
|
||||
e(3,4)=e(3,4)+p(pst(1,id))
|
||||
! order 1
|
||||
|
||||
id=id+1
|
||||
id=id+1 ! 14
|
||||
e(2,4)=e(2,4)+((p(pst(1,id))+p(pst(1,id)+1)-p(pst(1,id)+2))*ys+(p(pst(1,id)+3)+p(pst(1,id)+4)-p(pst(1,id)+5))*yb)
|
||||
e(3,5)=e(3,5)+((p(pst(1,id))+p(pst(1,id)+1)+p(pst(1,id)+2))*ys+(p(pst(1,id)+3)+p(pst(1,id)+4)+p(pst(1,id)+5))*yb)
|
||||
e(2,5)=e(2,5)+((-p(pst(1,id))+p(pst(1,id)+1)-p(pst(1,id)+2))*xs+(-p(pst(1,id)+3)+p(pst(1,id)+4)-p(pst(1,id)+5))*xb)
|
||||
e(3,4)=e(3,4)+((p(pst(1,id))-p(pst(1,id)+1)-p(pst(1,id)+2))*xs+(+p(pst(1,id)+3)-p(pst(1,id)+4)-p(pst(1,id)+5))*xb)
|
||||
|
||||
! order 2
|
||||
id=id+1
|
||||
id=id+1 ! 15
|
||||
|
||||
e(2,4)=e(2,4)+(p(pst(1,id)+(i-1))-p(pst(1,id)+(i+2))-p(pst(1,id)+(i+5)))*v2(i+3)
|
||||
e(3,5)=e(3,5)+(-p(pst(1,id)+(i-1))-p(pst(1,id)+(i+2))-p(pst(1,id)+(i+5)))*v2(i+3)
|
||||
|
|
@ -350,16 +322,16 @@ module diab_mod:
|
|||
! #####################
|
||||
! order 0
|
||||
|
||||
id=id+1
|
||||
id=id+1 ! 16
|
||||
e(1,2)=e(1,2)+(p(pst(1,id)))
|
||||
! order 1
|
||||
|
||||
id=id+1
|
||||
id=id+1 ! 17
|
||||
e(1,2)=e(1,2)-(p(pst(1,id))*xs + p(pst(1,id)+1)*xb)
|
||||
e(1,3)=e(1,3)-(p(pst(1,id))*ys + p(pst(1,id)+1)*yb)
|
||||
|
||||
! order 2
|
||||
id=id+1
|
||||
id=id+1 !18
|
||||
e(1,2)=e(1,2)-(p(pst(1,id))*(xs**2-ys**2)+p(pst(1,id)+1)*(xb**2-yb**2) &
|
||||
+p(pst(1,id)+2)*(xs*xb-ys*yb))
|
||||
e(1,3)=e(1,3)+(p(pst(1,id))*(2*xs*ys)+p(pst(1,id)+1)*(2*xb*yb)+ &
|
||||
|
|
@ -370,16 +342,16 @@ module diab_mod:
|
|||
!###############################################################################
|
||||
! order 0
|
||||
|
||||
id = id+1
|
||||
id = id+1 !19
|
||||
e(1,4)=e(1,4)+p(pst(1,id))
|
||||
! order 1
|
||||
|
||||
id=id+1
|
||||
id=id+1 ! 20
|
||||
e(1,4)=e(1,4)-(p(pst(1,id))*xs + p(pst(1,id)+1)*xb)
|
||||
e(1,5)=e(1,5)-(p(pst(1,id))*ys + p(pst(1,id)+1)*yb)
|
||||
|
||||
! order 2
|
||||
id=id+1
|
||||
id=id+1 ! 21
|
||||
e(1,4)=e(1,4)-(p(pst(1,id))*(xs**2-ys**2)+p(pst(1,id)+1)*(xb**2-yb**2) &
|
||||
+p(pst(1,id)+2)*(xs*xb-ys*yb))
|
||||
e(1,5)=e(1,5)+(p(pst(1,id))*(2*xs*ys)+p(pst(1,id)+1)*(2*xb*yb)+ &
|
||||
|
|
@ -408,9 +380,11 @@ module diab_mod:
|
|||
stop
|
||||
endif
|
||||
call rewrite_coord(q,a,xs,xb,yb,b,1)
|
||||
|
||||
|
||||
e = 0.0_dp
|
||||
! id for lz
|
||||
id = ! has to be
|
||||
id = 22 ! has to be
|
||||
! the diagonal terms
|
||||
|
||||
! the v-term is 0th order and 3rd order.
|
||||
|
|
@ -418,7 +392,7 @@ module diab_mod:
|
|||
|
||||
! w and z of E''
|
||||
! order 1
|
||||
id =id +1
|
||||
id = id
|
||||
e(2,2) = e(2,2) + p(pst(1,id))*ys + p(pst(1,id)+1)*yb
|
||||
e(3,3) = e(3,3) - p(pst(1,id))*ys - p(pst(1,id)+1)*yb
|
||||
e(2,3) = e(2,3) - p(pst(1,id))*xs -p(pst(1,id)+1)*xb
|
||||
|
|
|
|||
Loading…
Reference in New Issue