diff --git a/python/converters/vasp_converter.py b/python/converters/vasp_converter.py index 2a72f70f..b830975d 100644 --- a/python/converters/vasp_converter.py +++ b/python/converters/vasp_converter.py @@ -278,6 +278,7 @@ class VaspConverter(ConverterTools): # Store Fermi weights to 'dft_misc_input' if not (self.misc_subgrp in ar): ar.create_group(self.misc_subgrp) ar[self.misc_subgrp]['dft_fermi_weights'] = f_weights + ar[self.misc_subgrp]['band_window'] = band_window del ar # Symmetries are used, so now convert symmetry information for *correlated* orbitals: self.convert_symmetry_input(ctrl_head, orbits=self.corr_shells, symm_subgrp=self.symmcorr_subgrp)