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dft_tools/test/python/plovasp/converter/lunio3.cfg
Alexander Hampel 23723bc580 [vasp] change normion default to False
In coordination with M. Aichorn and O. Peil we decided to change the
default of the normion to False. This is closed to the behavior of the
other converters w90, elk, and wien2k, which will always orthonormalize
all projectors in a unit cell together (normion=False) and not per ion
site (normion=True). Changed tests accordingly.
2023-07-24 11:30:39 -04:00

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INI

[General]
BASENAME = converter/lunio3
[Shell 1]
LSHELL = 2
IONS = [5, 6] [7, 8]
EWINDOW = -0.6 2.7
TRANSFILE = converter/lunio3/rot_dz2_dx2
NORMALIZE = True
NORMION = True