mirror of
https://github.com/triqs/dft_tools
synced 2024-11-09 07:33:47 +01:00
53 lines
812 B
Plaintext
53 lines
812 B
Plaintext
nq = 1
|
|
ispin = 1
|
|
nelect = 11
|
|
nktot = 4
|
|
nband = 9
|
|
kpts:
|
|
[[ 0. 0. 0. ]
|
|
[ 0.3333333 0. 0. ]
|
|
[ 0.3333333 0.3333333 0. ]
|
|
[-0.3333333 0.3333333 0.3333333]]
|
|
kwghts:
|
|
[ 0.03703704 0.4444444 0.2962963 0.2222222 ]
|
|
eigs:
|
|
[[[-31.099965]
|
|
[-31.099965]
|
|
[-31.099965]
|
|
[ -0.81347 ]
|
|
[ 5.974027]
|
|
[ 5.974027]
|
|
[ 5.974027]
|
|
[ 7.986328]
|
|
[ 7.986328]]
|
|
|
|
[[-31.819277]
|
|
[-31.322999]
|
|
[-31.105684]
|
|
[ 2.193081]
|
|
[ 4.784864]
|
|
[ 5.83934 ]
|
|
[ 7.833446]
|
|
[ 8.202781]
|
|
[ 8.589551]]
|
|
|
|
[[-31.750021]
|
|
[-31.750021]
|
|
[-31.21756 ]
|
|
[ 3.978315]
|
|
[ 4.708263]
|
|
[ 4.708263]
|
|
[ 8.262522]
|
|
[ 8.262522]
|
|
[ 14.771374]]
|
|
|
|
[[-31.719893]
|
|
[-31.577292]
|
|
[-31.577292]
|
|
[ 3.383714]
|
|
[ 3.75632 ]
|
|
[ 7.355029]
|
|
[ 7.355029]
|
|
[ 8.411511]
|
|
[ 11.054129]]]
|