def read(self, reader):
WaveFunctions.read(self, reader)
if 'coefficients' not in reader.wave_functions:
return
for kpt in self.kpt_u:
C_nM = reader.wave_functions.proxy('coefficients', kpt.s, kpt.k)
kpt.C_nM = self.bd.empty(self.setups.nao, dtype=self.dtype)
for myn, C_M in enumerate(kpt.C_nM):
n = self.bd.global_index(myn)
# XXX number of bands could have been rounded up!
if n >= len(C_nM):
break
C_M[:] = C_nM[n] * Bohr**1.5
def read(self, reader):
WaveFunctions.read(self, reader)
r = reader.wave_functions
if 'coefficients' in r:
self.read_wave_functions(r)