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mirror of https://github.com/triqs/dft_tools synced 2024-12-22 04:13:47 +01:00
dft_tools/python
Oleg Peil b325028efd Fixed the calculation of 'nelect'
In the previous commit the calculation of 'nelect' was implemented
incorrectly. The sum over k-points must also contain k-weights
and a spin factor (2.0 for ns = 1).

The calculation of 'nelect' is now implemented as a separate method
of ProjectorGroup.
2015-10-11 13:55:48 +02:00
..
converters Fixed the calculation of 'nelect' 2015-10-11 13:55:48 +02:00
__init__.py Moved U_matrix to TRIQS library 2015-06-17 18:19:30 +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