diff --git a/python/converters/vasp_converter.py b/python/converters/vasp_converter.py index a3d0f5c0..e2c4d61d 100644 --- a/python/converters/vasp_converter.py +++ b/python/converters/vasp_converter.py @@ -335,6 +335,8 @@ class VaspConverter(ConverterTools): rf.close() + + proj_or_hk = self.proj_or_hk # Save it to the HDF: with HDFArchive(self.hdf_file,'a') as ar: @@ -343,11 +345,9 @@ class VaspConverter(ConverterTools): things_to_save = ['energy_unit','n_k','k_dep_projection','SP','SO','charge_below','density_required', 'symm_op','n_shells','shells','n_corr_shells','corr_shells','use_rotations','rot_mat', 'rot_mat_time_inv','n_reps','dim_reps','T','n_orbitals','proj_mat','bz_weights','hopping', - 'n_inequiv_shells', 'corr_to_inequiv', 'inequiv_to_corr'] + 'n_inequiv_shells', 'corr_to_inequiv', 'inequiv_to_corr','proj_or_hk'] if self.proj_or_hk == 'hk': - proj_or_hk = self.proj_or_hk things_to_save.append('proj_mat_csc') - things_to_save.append('proj_or_hk') for it in things_to_save: ar[self.dft_subgrp][it] = locals()[it] # Store Fermi weights to 'dft_misc_input' diff --git a/test/plovasp/converter/lunio3.out.h5 b/test/plovasp/converter/lunio3.out.h5 index 52e72dc2..23b56f90 100644 Binary files a/test/plovasp/converter/lunio3.out.h5 and b/test/plovasp/converter/lunio3.out.h5 differ diff --git a/test/plovasp/converter/pg_output.out.h5 b/test/plovasp/converter/pg_output.out.h5 index 55af2cc4..bb0da56f 100644 Binary files a/test/plovasp/converter/pg_output.out.h5 and b/test/plovasp/converter/pg_output.out.h5 differ