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2.2.x
dft_tools/test/plovasp/converter/one_site
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Oleg Peil d029aa8e3e Added two tests to check conversion to h5 DFT input
2018-12-04 12:52:02 -05:00
..
IBZKPT Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
LOCPROJ Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
POSCAR Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
PROJCAR Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
readme.txt Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00

readme.txt 

  A remark on how to get nice test results for a very small k-mesh.

  To reproduce this test one first performs a self-consistent cacluation of SrVO3
with 8x8x8 k-points and then obtains projectors (LOCPROJ) with a non-selfconsistent
calculation for the grid 3x3x3.