25 lines
760 B
Python
25 lines
760 B
Python
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# coding: utf8
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from ase.build import bulk
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from msspec.utils import *
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a = 4.21 # The lattice parameter
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epsilon = 0.01 # a small usefull value
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MgO = bulk('MgO', a=a, crystalstructure='rocksalt', cubic=True) # ASE magic here
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# shaping the cluster in half sphere
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MgO = MgO.repeat((10, 10, 10))
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center_cluster(MgO)
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MgO = cut_plane(MgO, z=epsilon)
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MgO = cut_sphere(MgO, radius=3.*a + epsilon)
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print len(MgO)
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raise
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from ase.io import write
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MgO.rotate(-65, 'x')
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for a in range(0, 360, 5):
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write('img_{:03d}.pov'.format(a), MgO, camera_type='perspective', display=False, rotation='{:d}y'.format(a),
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transparent=True)
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