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The new method in ElectronicStructure allows one to output denisty and overlap matrices originating from the raw projectors read from PROJCAR (LOCPROJ). This output is mainly intended for debug purposes. |
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.. | ||
examples/simple | ||
test | ||
.gitignore | ||
elstruct.py | ||
inpconf.py | ||
main.py | ||
plotools.py | ||
vaspio.py |