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dft_tools/python/converters/plovasp/examples/srvo3/plo.cfg

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2015-12-01 13:19:24 +01:00
[General]
DOSMESH = -3.0 5.0 4001
[Group 1]
SHELLS = 1
NORMALIZE = True
EWINDOW = -1.45 1.8
[Shell 1]
LSHELL = 2
IONS = 2
TRANSFORM = 1.0 0.0 0.0 0.0 0.0
0.0 1.0 0.0 0.0 0.0
0.0 0.0 0.0 1.0 0.0