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dft_tools/test/plovasp/proj_group/two_site/LOCPROJ

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2015-11-30 20:18:17 +01:00
1 8 32 10
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
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dyz
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ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dxz
ISITE: 2 R= -0.5000000 -0.5000000 -0.5000000 Hydrogen-like : dx2-y2
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