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Added writing of 'band_window' to 'dft_misc_input'
In VASP implementation of charge self-consistency we need band indices to construct the density matrix correction.
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@ -278,6 +278,7 @@ class VaspConverter(ConverterTools):
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# Store Fermi weights to 'dft_misc_input'
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if not (self.misc_subgrp in ar): ar.create_group(self.misc_subgrp)
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ar[self.misc_subgrp]['dft_fermi_weights'] = f_weights
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ar[self.misc_subgrp]['band_window'] = band_window
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del ar
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# Symmetries are used, so now convert symmetry information for *correlated* orbitals:
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self.convert_symmetry_input(ctrl_head, orbits=self.corr_shells, symm_subgrp=self.symmcorr_subgrp)
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