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0aed9c681f
dft_tools/python
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Oleg.Peil 0aed9c681f Fixed a small mistake in the calculation of cell volume 
There was an obious typo in the formula for cell volume

vol_c = a * b * c * numpy.sqrt(1 + 2 * c_al * c_be * c_ga - c_al ** 2 - c_be ** 2 - c_ga ** 2),

where instead of 'c_be ** 2' there was 'c_be * 82'.
2015-05-02 13:16:24 +02:00
..
converters Fixes a little bug in wien2k_converter.py 2015-04-30 19:05:24 +02:00
__init__.py Renamed everything from 'lda' to 'dft' 2014-11-18 11:44:14 +01:00
build_sigma_from_txt.py Renamed everything from 'lda' to 'dft' 2014-11-18 11:44:14 +01:00
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 Fixed a small mistake in the calculation of cell volume 2015-05-02 13:16:24 +02:00
sumk_dft.py Modify HDFArchive calls to 'r' where possible to handle corrupt files 2015-04-27 13:12:28 +02:00
symmetry.py Modify HDFArchive calls to 'r' where possible to handle corrupt files 2015-04-27 13:12:28 +02:00
TODOFIX Renamed everything from 'lda' to 'dft' 2014-11-18 11:44:14 +01:00
trans_basis.py [doc] New documentation 2015-04-21 14:31:15 +02:00
U_matrix.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