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dft_tools/python/vasp
Oleg E. Peil bf34d968cc Added orbital labels to 'proj_params'
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.
2015-11-10 15:32:15 +01:00
..
examples/simple Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
test Added a format check for EIGENVAL to vaspio.py 2015-10-16 11:59:02 +02:00
.gitignore Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
elstruct.py Fixed a bug in 'debug_density_matrix()' 2015-11-10 12:07:13 +01:00
inpconf.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
main.py Added density and overlap matrix output ot ElStruct 2015-10-16 16:27:49 +02:00
plotools.py Fixed a bug in 'density_of_states()' 2015-11-10 14:09:40 +01:00
vaspio.py Added orbital labels to 'proj_params' 2015-11-10 15:32:15 +01:00