dft_tools/python/vasp/test/_plotools/wrong_shell.cfg

mirror of https://github.com/triqs/dft_tools synced 2024-09-27 03:50:51 +02:00

[Shell 1]
LSHELL = 2
IONS = 4 5 6 7
EMIN = -15.0
EMAX = 5.0
Added consistency check for projected shells Added a check to 'check_data_consistency()' that verifies that each shell contains only one sort of ions. Also added a non-functioning test (implementation is commented) for the function. It requires a full set of VASP files for an example with multiple atom sorts. 2015-09-16 11:40:01 +02:00
			`[Shell 1]`
			`LSHELL = 2`
			`IONS = 4 5 6 7`
			`EMIN = -15.0`
			`EMAX = 5.0`