def _get_wave_function_array(self, u, n, realspace=True, phase=None):
psit_G = FDPWWaveFunctions._get_wave_function_array(self, u, n,
realspace)
if not realspace:
zeropadded_G = np.zeros(self.pd.ngmax, complex)
zeropadded_G[:len(psit_G)] = psit_G
return zeropadded_G
kpt = self.kpt_u[u]
if self.kd.gamma:
return self.pd.ifft(psit_G)
else:
if phase is None:
N_c = self.gd.N_c
k_c = self.kd.ibzk_kc[kpt.k]
eikr_R = np.exp(2j * pi * np.dot(np.indices(N_c).T,
k_c / N_c).T)
else:
eikr_R = phase
return self.pd.ifft(psit_G, kpt.q) * eikr_R
def _get_wave_function_array(self, u, n, realspace=True, phase=None):
psit_G = FDPWWaveFunctions._get_wave_function_array(self, u, n,
realspace)
if not realspace:
zeropadded_G = np.zeros(self.pd.ngmax, complex)
zeropadded_G[:len(psit_G)] = psit_G
return zeropadded_G
kpt = self.kpt_u[u]
if self.kd.gamma:
return self.pd.ifft(psit_G)
else:
if phase is None:
N_c = self.gd.N_c
k_c = self.kd.ibzk_kc[kpt.k]
eikr_R = np.exp(2j * pi * np.dot(np.indices(N_c).T,
k_c / N_c).T)
else:
eikr_R = phase
return self.pd.ifft(psit_G, kpt.q) * eikr_R
