def write(self, writer, write_wave_functions=False):
WaveFunctions.write(self, writer)
if not write_wave_functions:
return
writer.add_array(
'coefficients',
(self.nspins, self.kd.nibzkpts, self.bd.nbands, self.setups.nao),
dtype=self.dtype)
for s in range(self.nspins):
for k in range(self.kd.nibzkpts):
C_nM = self.collect_array('C_nM', k, s)
writer.fill(C_nM * Bohr**-1.5)
def write(self, writer, write_wave_functions=False):
WaveFunctions.write(self, writer)
if write_wave_functions:
self.write_wave_functions(writer)
