LCPQ/dft_tools
3
0
Fork 0
mirror of https://github.com/triqs/dft_tools synced 2024-12-23 12:55:17 +01:00
Code Issues Releases Wiki Activity
4d50e41135
dft_tools/test/plovasp/converter/one_site
History
Malte Schüler ce6ff62af4 fixed tests for reading e-fermi from DOSCAR. Clean up of plovasp (prints from bugfixing
2019-11-25 09:53:05 +01:00
..
DOSCAR fixed tests for reading e-fermi from DOSCAR. Clean up of plovasp (prints from bugfixing 2019-11-25 09:53:05 +01:00
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.