mod_eigvects Module
Subroutines
public subroutine rewrite_eigv_atom(inc, nstates, rveig, rveig_atom)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| integer, | intent(in) | :: | nstates | |||
| double complex, | intent(in) | :: | rveig(inc%almso,nstates) | |||
| double complex, | intent(out) | :: | rveig_atom(inc%lmmaxso,inc%natypd,nstates) |
public subroutine compare_eigv(inc, LVref, RV2, LMout, uio)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| double complex, | intent(in) | :: | LVref(inc%almso) | |||
| double complex, | intent(in) | :: | RV2(inc%almso,inc%almso) | |||
| integer, | intent(out) | :: | LMout | |||
| integer, | intent(in), | optional | :: | uio |
public subroutine compare_eigv_memopt(inc, LVref, RV2, nb_ev, LMout, uio)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| double complex, | intent(in) | :: | LVref(inc%almso) | |||
| double complex, | intent(in) | :: | RV2(inc%almso,inc%neig) | |||
| integer, | intent(in) | :: | nb_ev | |||
| integer, | intent(out) | :: | LMout | |||
| integer, | intent(in), | optional | :: | uio |
public subroutine orthgonalize_wavefunc(inc, rhod_norm, rveig_atom)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| double complex, | intent(in) | :: | rhod_norm(inc%lmmaxso,inc%lmmaxso,inc%natypd) | |||
| double complex, | intent(inout) | :: | rveig_atom(inc%lmmaxso,inc%natypd,2) |
public subroutine normalize_wavefunc(inc, nstates, rhod_norm, rveig_atom)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| integer, | intent(in) | :: | nstates | |||
| double complex, | intent(in) | :: | rhod_norm(inc%lmmaxso,inc%lmmaxso,inc%natypd) | |||
| double complex, | intent(inout) | :: | rveig_atom(inc%lmmaxso,inc%natypd,nstates) |
public subroutine calc_norm_wavefunc(inc, nstates, rhod_norm, rveig_atom, norm, norm_atom)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| integer, | intent(in) | :: | nstates | |||
| double complex, | intent(in) | :: | rhod_norm(inc%lmmaxso,inc%lmmaxso,inc%natypd) | |||
| double complex, | intent(in) | :: | rveig_atom(inc%lmmaxso,inc%natypd,nstates) | |||
| double complex, | intent(out) | :: | norm(nstates) | |||
| double complex, | intent(out), | optional | :: | norm_atom(inc%natypd,nstates) |
public subroutine calc_proj_wavefunc(inc, rhod_norm, rveig_atom, proj)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(inc_TYPE), | intent(in) | :: | inc | |||
| double complex, | intent(in) | :: | rhod_norm(inc%lmmaxso,inc%lmmaxso,inc%natypd) | |||
| double complex, | intent(in) | :: | rveig_atom(inc%lmmaxso,inc%natypd,2) | |||
| double complex, | intent(out) | :: | proj |
public subroutine normeigv_new(almso, LV, RV)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | almso | |||
| double complex, | intent(inout) | :: | LV(almso,almso) | |||
| double complex, | intent(inout) | :: | RV(almso,almso) |
public subroutine normeigv_new_memopt(almso, nb_ev, LV, RV)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | almso | |||
| integer, | intent(in) | :: | nb_ev | |||
| double complex, | intent(inout) | :: | LV(almso,nb_ev) | |||
| double complex, | intent(inout) | :: | RV(almso,nb_ev) |
private subroutine CHECKDEGENERACY(ALMSO, eps_degenerate, EIGW, ENT, ENTW)
!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | ALMSO | |||
| double precision, | intent(in) | :: | eps_degenerate | |||
| double complex, | intent(in) | :: | EIGW(ALMSO) | |||
| integer, | intent(out) | :: | ENT(ALMSO) | |||
| integer, | intent(out) | :: | ENTW(ALMSO,ALMSO) |