MOD_RHOVALfull Module
Subroutines
public subroutine RHOVALFULL(ie, ielast, eryd, wez, gmatll, nspin, iatom, cell, vpot_up, vpot_dn, shapefun, gauntcoeff, zatom, density, lmaxatom, lmmaxatom, config, lmaxd, energyparts, efermi)
- License
- Category
- physical-observables, KKRimp
Wrapper for charge-density routine for case "fullgmat".
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | ie | |||
| integer | :: | ielast | ||||
| complex(kind=dpc), | intent(in) | :: | eryd | |||
| complex(kind=dpc), | intent(in) | :: | wez | |||
| complex(kind=dpc), | intent(in) | :: | gmatll(2*lmmaxatom,2*lmmaxatom) | |||
| integer, | intent(in) | :: | nspin | |||
| integer, | intent(in) | :: | iatom | |||
| type(CELL_TYPE), | intent(in) | :: | cell | |||
| real(kind=dp), | intent(in) | :: | vpot_up(1:cell%nrmaxd,(2*lmaxd+1)**2) | |||
| real(kind=dp), | intent(in) | :: | vpot_dn(1:cell%nrmaxd,(2*lmaxd+1)**2) | |||
| type(shapefun_type), | intent(in) | :: | shapefun | |||
| type(gauntcoeff_type), | intent(in) | :: | gauntcoeff | |||
| real(kind=dp), | intent(in) | :: | zatom | |||
| type(DENSITY_TYPE) | :: | density | ||||
| integer, | intent(in) | :: | lmaxatom | |||
| integer, | intent(in) | :: | lmmaxatom | |||
| type(config_type) | :: | config | ||||
| integer, | intent(in) | :: | lmaxd | |||
| type(ENERGYPARTS_TYPE) | :: | energyparts | ||||
| double precision | :: | efermi |