dft_tools/doc/tutorials/images_scripts/Sr2MgOsO6_noSOC.indmftpr

5                ! Nsort
2 1 1 4 2        ! Mult(Nsort)
3                ! lmax
complex          ! choice of angular harmonics
0 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
0 0 2 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                ! SO flag
complex          ! choice of angular harmonics
0 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)
complex          ! choice of angular harmonics
0 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)
complex
0 0 0 0
0 0 0 0
-0.09 0.43
First draft of the Sr2MgOsO6 w/o SOC doc 2020-03-30 15:46:54 +02:00			`5 ! Nsort`
worked on the sr2mgoso6 tutorial 2020-03-31 09:43:05 +02:00			`2 1 1 4 2 ! Mult(Nsort)`
First draft of the Sr2MgOsO6 w/o SOC doc 2020-03-30 15:46:54 +02:00			`3 ! lmax`
			`complex ! choice of angular harmonics`
			`0 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`
			`0 0 2 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 ! SO flag`
			`complex ! choice of angular harmonics`
			`0 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)`
			`complex ! choice of angular harmonics`
			`0 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)`
			`complex`
			`0 0 0 0`
			`0 0 0 0`
worked on the sr2mgoso6 tutorial 2020-03-31 09:43:05 +02:00			`-0.09 0.43`