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mirror of https://github.com/triqs/dft_tools synced 2024-07-08 20:33:54 +02:00
dft_tools/python/vasp
Oleg E. Peil 66fac2f1bd Added preliminary PROJCAR parser to vaspio
This python-parser is a prototype of a future parser that will probably
be using only LOCPROJ (which is going to be modified).
At the moment, one has to use the first line of LOCPROJ to determine
the array dimensions and parse PROJCAR because it contains relevant information
on projectors (such as site and orbital character).

Note that in the previous implementation relying on the binary PLOCAR-file
the Fermi weights were taken from PLOCAR. In the current version of VASP
(>=5.4.1) the Fermi weights can read in from EIGENVAL.
2015-10-14 15:58:45 +02:00
..
examples/simple Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
test Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
.gitignore Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
elstruct.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
inpconf.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
main.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
plotools.py Reshuffled files after repository merge 2015-10-13 11:27:55 +02:00
vaspio.py Added preliminary PROJCAR parser to vaspio 2015-10-14 15:58:45 +02:00