Minor update

This commit is contained in:
Atsushi Togo 2015-06-18 23:59:03 +09:00
parent d108c706c9
commit 5795366ab3
1 changed files with 4 additions and 0 deletions

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@ -82,6 +82,7 @@ if __name__ == '__main__':
mode_kappa = f['mode_kappa']
frequencies = f['frequency'][:]
temperatures = f['temperature'][:]
weights = f['weight'][:]
symmetry = Symmetry(primitive)
rotations = symmetry.get_pointgroup_operations()
@ -91,6 +92,9 @@ if __name__ == '__main__':
grid_address = gp.get_grid_address()
grid_mapping_table = gp.get_grid_mapping_table()
ir_grid_points = gp.get_ir_grid_points()
weights_for_check = gp.get_ir_grid_weights()
assert (weights == weights_for_check).all()
kappa_dos = KappaDOS(mode_kappa,
primitive,