mirror of https://github.com/phonopy/phonopy.git
Minor update
This commit is contained in:
parent
d108c706c9
commit
5795366ab3
|
@ -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,
|
||||
|
|
Loading…
Reference in New Issue