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dft_tools/test/plovasp/proj_group/projortho.out
Oleg E. Peil 96104cf10d Fixed example and test case 'simple'
The test input files have been adapted to the new format
of LOCPROJ.
2016-03-24 20:11:57 +01:00

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density matrix: [[[[ 0.54239242 -0.00069107 0.00000946 -0.00067639 -0.00000019]
[-0.00069107 0.54295547 0.00000486 0.00082855 -0.00002492]
[ 0.00000946 0.00000486 0.57155757 0.00000454 0.00000002]
[-0.00067639 0.00082855 0.00000454 0.54666342 0.00002474]
[-0.00000019 -0.00002492 0.00000002 0.00002474 0.57284179]]]]
overlap matrix: [[[[ 1. -0. 0. 0. 0.]
[-0. 1. -0. -0. 0.]
[ 0. -0. 1. -0. -0.]
[ 0. -0. -0. 1. 0.]
[ 0. 0. -0. 0. 1.]]]]