LCPQ/dft_tools
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dft_tools/test/plovasp/converter/lunio3
History
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
readme.txt Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
rot_dz2_dx2 Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00
test_lunio3.tar.gz Added two tests to check conversion to h5 DFT input 2018-12-04 12:52:02 -05:00

readme.txt 

   This is an output generated by VASP for LuNiO3.

   The calculation is initially done for 6x6x4 k-points and then
a non-self-consistent calculation for 3x3x2 is performed to generate
LOCPROJ for Ni ions.