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mirror of https://github.com/triqs/dft_tools synced 2024-06-27 07:32:19 +02:00
dft_tools/python
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
..
converters Commented out debug prints in 'vasp_converter.py' 2015-10-22 20:13:58 +02:00
vasp Added orbital labels to 'proj_params' 2015-11-10 15:32:15 +01:00
__init__.py Moved U_matrix to TRIQS library 2015-06-17 18:19:30 +02:00
.gitignore Reshuffled some files, added .gitignore 2015-10-21 11:54:22 +02:00
clear_h5_output.py Fix subgroup name in clear_h5_output.py 2015-03-12 11:01:02 +01:00
CMakeLists.txt Clean CMakeLists.txt 2013-08-07 16:30:09 +02:00
sumk_dft_tools.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
sumk_dft.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
symmetry.py Removes work around for issue #41 2015-08-10 16:14:51 +02:00
trans_basis.py [doc] New documentation 2015-04-21 14:31:15 +02:00
update_archive.py Unify notation in sumk_dft_tools. 2015-01-22 10:47:53 +01:00