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https://github.com/triqs/dft_tools
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![]() The on-site blocks of the large (for all orbitals) desnity matrix were incorrectly copied for the output. |
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.. | ||
examples/simple | ||
test | ||
.gitignore | ||
elstruct.py | ||
inpconf.py | ||
main.py | ||
plotools.py | ||
vaspio.py |