dft_tools/test/python/plovasp/converter/example.cfg

[General]
BASENAME = converter/one_site

[Shell 1]
LSHELL = 2
IONS = 2
EWINDOW = -15.0  5.0
NORMION = True
Added two tests to check conversion to h5 DFT input 2018-05-04 16:26:47 +02:00			`[General]`
			`BASENAME = converter/one_site`

			`[Shell 1]`
			`LSHELL = 2`
			`IONS = 2`
			`EWINDOW = -15.0 5.0`
[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 16:41:59 +02:00			`NORMION = True`
Added two tests to check conversion to h5 DFT input 2018-05-04 16:26:47 +02:00