mirror of
https://github.com/triqs/dft_tools
synced 2024-12-22 04:13:47 +01:00
bf34d968cc
When PROJCAR is read it assigns the orbitals by their corresponding labels. These labels are now added to the dictionary 'proj_params'. Although they are not used currently they can be handy when it comes to identifying the character of the orbitals. Also, the order of orbital labels for p- and d-orbitals was changed to conform to the convention of the old PROCAR file. |
||
---|---|---|
.. | ||
examples/simple | ||
test | ||
.gitignore | ||
elstruct.py | ||
inpconf.py | ||
main.py | ||
plotools.py | ||
vaspio.py |