def dip_moment(cell, dm_kpts, unit='Debye', verbose=logger.NOTE,
grids=None, rho=None, kpts=np.zeros((1,3))):
''' Dipole moment in the unit cell.
Args:
cell : an instance of :class:`Cell`
dm_kpts (two lists of ndarrays) : KUHF density matrices of k-points
Return:
A list: the dipole moment on x, y and z components
'''
dm_kpts = dm_kpts[0] + dm_kpts[1]
return khf.dip_moment(cell, dm_kpts, unit, verbose, grids, rho, kpts)
def dip_moment(cell, dm_kpts, unit='Debye', verbose=logger.NOTE,
grids=None, rho=None, kpts=np.zeros((1,3))):
''' Dipole moment in the unit cell.
Args:
cell : an instance of :class:`Cell`
dm_kpts (two lists of ndarrays) : KUHF density matrices of k-points
Return:
A list: the dipole moment on x, y and z components
'''
dm_kpts = dm_kpts[0] + dm_kpts[1]
return khf.dip_moment(cell, dm_kpts, unit, verbose, grids, rho, kpts)
