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https://github.com/triqs/dft_tools
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e8dff08fcf
Noramlly, the Fermi energy is read from DOSCAR. However, this does not work in case of a self-consistent calculation in which DOSCAR is not written between iterations. One of the options is to modify slightly the output to LOCPROJ and add EFERMI to the first line. |
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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 |