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In the new version of VASP LOCPROJ contains the eigenvalues and Fermi weights. Also, during a charge self-consistency calculation the file EIGENVAL is not written at intermediate iterations. It is, thus, preferential to use LOCPROJ to get the named data. At the moment, EIGENVAL will still be used if it is complete but in the future this dependence should be removed completely. |
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.. | ||
converters | ||
__init__.py | ||
.gitignore | ||
clear_h5_output.py | ||
CMakeLists.txt | ||
sumk_dft_tools.py | ||
sumk_dft.py | ||
symmetry.py | ||
trans_basis.py | ||
update_archive.py |