dft_tools/doc/tutorials/images_scripts/plo.cfg

[General]
BASENAME = nio
DOSMESH = -21 55 400

[Group 1]
SHELLS = 1 2
EWINDOW = -9 2
NORMION = False
NORMALIZE = True
BANDS = 2 10

[Shell 1] # Ni d shell
LSHELL = 2
IONS = 1
CORR = True
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  1.0  0.0  0.0
            0.0  0.0  0.0  1.0  0.0
            0.0  0.0  0.0  0.0  1.0

[Shell 2] # O p shell
LSHELL = 1
IONS = 2
CORR = False
TRANSFORM = 1.0  0.0  0.0
            0.0  1.0  0.0
            0.0  0.0  1.0
work in NiO tutorial 2019-07-08 09:55:22 +02:00			`[General]`
			`BASENAME = nio`
			`DOSMESH = -21 55 400`

			`[Group 1]`
			`SHELLS = 1 2`
			`EWINDOW = -9 2`
			`NORMION = False`
			`NORMALIZE = True`
uncompleted work on csc NiO tutorial 2019-07-19 13:33:11 +02:00			`BANDS = 2 10`
work in NiO tutorial 2019-07-08 09:55:22 +02:00
			`[Shell 1] # Ni d shell`
			`LSHELL = 2`
			`IONS = 1`
			`CORR = True`
			`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 1.0 0.0 0.0`
			`0.0 0.0 0.0 1.0 0.0`
			`0.0 0.0 0.0 0.0 1.0`

			`[Shell 2] # O p shell`
			`LSHELL = 1`
			`IONS = 2`
			`CORR = False`
			`TRANSFORM = 1.0 0.0 0.0`
			`0.0 1.0 0.0`
			`0.0 0.0 1.0`