dft_tools/doc/tutorials/images_scripts/SrVO3.indmftpr

3                ! Nsort
1 1 3            ! Mult(Nsort)
3                ! lmax
complex          ! choice of angular harmonics
1 0 0 0          ! l included for each sort
0 0 0 0          ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)
cubic            ! choice of angular harmonics
1 1 2 0          ! l included for each sort
0 0 2 0          ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)
01               !
0                ! SO flag
complex          ! choice of angular harmonics
1 1 0 0          ! l included for each sort
0 0 0 0          ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)
-0.11 0.14  0    ! lower energy window limit, upper energy window limit, mode (0,1,2)
first version of the SrVO3 tutorial / Wien2k version 2018-08-06 14:41:54 +02:00			`3 ! Nsort`
			`1 1 3 ! Mult(Nsort)`
			`3 ! lmax`
			`complex ! choice of angular harmonics`
			`1 0 0 0 ! l included for each sort`
			`0 0 0 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)`
			`cubic ! choice of angular harmonics`
			`1 1 2 0 ! l included for each sort`
			`0 0 2 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)`
			`01 !`
			`0 ! SO flag`
			`complex ! choice of angular harmonics`
			`1 1 0 0 ! l included for each sort`
			`0 0 0 0 ! If split into ireps, gives number of ireps. for a given orbital (otherwise 0)`
dmftproj: add option to specify band indices This adds another option and a mode flag in dmftproj: * third value in window line defines now the mode * new option to provide an energy window where all bands which are within the window (at least at one k-point) are taken into account for the projectors. * updates to documention to reflects those changes 2020-05-20 04:42:40 +02:00			`-0.11 0.14 0 ! lower energy window limit, upper energy window limit, mode (0,1,2)`