calculate_Pkksub Subroutine
private subroutine calculate_Pkksub(inc, lattice, impcls, nsqa, myrank, master, nkpt1, nkpt2, ioff1, ioff2, ntot, rveig1, rveig2, kpoints, weights, Amat, Pkksub)
Uses
-
- mpi
- type_data
- type_inc
- mod_mathtools
- mod_iohelp
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| type(lattice_TYPE), | intent(in) | :: | lattice | |||
| type(impcls_TYPE), | intent(in) | :: | impcls(sca%naverage) | |||
| integer, | intent(in) | :: | nsqa | |||
| integer, | intent(in) | :: | myrank | |||
| integer, | intent(in) | :: | master | |||
| integer, | intent(in) | :: | nkpt1 | |||
| integer, | intent(in) | :: | nkpt2 | |||
| integer, | intent(in) | :: | ioff1 | |||
| integer, | intent(in) | :: | ioff2 | |||
| integer, | intent(in) | :: | ntot | |||
| double complex, | intent(in) | :: | rveig1(inc%lmmaxso,inc%natypd,inc%ndegen,nsqa,nkpt1) | |||
| double complex, | intent(in) | :: | rveig2(inc%lmmaxso,inc%natypd,inc%ndegen,nsqa,nkpt2) | |||
| double precision, | intent(in) | :: | kpoints(3,ntot) | |||
| double precision, | intent(in) | :: | weights(ntot) | |||
| double complex, | intent(in) | :: | Amat(impcls(1)%clmso,impcls(1)%clmso,sca%naverage) | |||
| double precision, | intent(out), | allocatable | :: | Pkksub(:,:,:,:,:) |