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dft_tools/test/plovasp/proj_group/simple/LOCPROJ

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Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
1 8 32 5
ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxy
ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dyz
ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dz2
ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dxz
ISITE: 1 R= 0.0000000 0.0000000 0.0000000 Hydrogen-like : dx2-y2
1 1 1 1 -0.0000000000 0.0000000000
1 1 1 2 0.0000000000 -0.0000000000
Added a test to '_proj_group' test suite Added a test comparing two-site density and overlap matrices.
2015-11-18 19:02:21 +01:00
1 1 1 3 0.0000000000 -0.0000000000
Fixed example 'simple' and corresponding tests The calculation of the example was redone to generate LOCPROJ in a new format (valid starting from VASP 5.4.2).
2015-11-30 19:52:38 +01:00
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