mirror of
https://github.com/triqs/dft_tools
synced 2024-11-13 09:33:53 +01:00
3a78f18cfc
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
16 lines
776 B
Plaintext
16 lines
776 B
Plaintext
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)
|