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dft_tools/python/converters/plovasp/test/_inpconf/parse_shells_4.cfg
Oleg E. Peil 3620784798 Replaced R- and C-TRANSFORM with TRANSFORM option
Also, some tests were modified accordingly.
2015-11-30 20:24:34 +01:00

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182 B
INI

[General]
[Group 1]
SHELLS = 1 2
[Shell 1]
LSHELL = 2
IONS = 5..8
[Shell 2]
LSHELL = 1
IONS = 1..4
TRANSFORM = 0.0 1.0 0.0
1.0 0.0 0.0
0.0 0.0 1.0