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https://github.com/triqs/dft_tools
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![]() 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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.. | ||
examples | ||
test | ||
__init__.py | ||
.gitignore | ||
elstruct.py | ||
inpconf.py | ||
main.py | ||
plotools.py | ||
proj_group.py | ||
proj_shell.py | ||
vaspio.py |