dft_tools/doc/guide/images_scripts/case.hk

64          ! number of k-points
1.0         ! Electron density
2           ! number of total atomic shells
1 1 2 5     ! iatom, isort, l, dimension
2 2 1 3     ! iatom, isort, l, dimension
1           ! number of correlated shells
1 1 2 5 0 0 ! iatom, isort, l, dimension, SO, irep
1 5         ! # of ireps, dimension of irep
Updated documentation of the hk converter 2016-08-29 10:27:33 +02:00			`64 ! number of k-points`
			`1.0 ! Electron density`
			`2 ! number of total atomic shells`
			`1 1 2 5 ! iatom, isort, l, dimension`
			`2 2 1 3 ! iatom, isort, l, dimension`
			`1 ! number of correlated shells`
			`1 1 2 5 0 0 ! iatom, isort, l, dimension, SO, irep`
			`1 5 ! # of ireps, dimension of irep`