calculate_torkance_CRTA_vis_simpson2D Subroutine
private subroutine calculate_torkance_CRTA_vis_simpson2D(nsym, isym, rotmat, alat, BZVol, ndeg, nkpts, nkpts_all, kpt2irr, irr2kpt, kpoints, fermivel, torqval)
Uses
-
- mod_mathtools
- mod_mympi
- mpi
- mod_symmetries
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | nsym | |||
| integer, | intent(in) | :: | isym(nsym) | |||
| double precision, | intent(in) | :: | rotmat(64,3,3) | |||
| double precision, | intent(in) | :: | alat | |||
| double precision, | intent(in) | :: | BZVol | |||
| integer, | intent(in) | :: | ndeg | |||
| integer, | intent(in) | :: | nkpts | |||
| integer, | intent(in) | :: | nkpts_all | |||
| integer, | intent(in) | :: | kpt2irr(nkpts_all) | |||
| integer, | intent(in) | :: | irr2kpt(nkpts) | |||
| double precision, | intent(in) | :: | kpoints(3,nkpts) | |||
| double precision, | intent(in) | :: | fermivel(3,nkpts) | |||
| double precision, | intent(in) | :: | torqval(3,ndeg,nkpts) |