W r a p p e r
f o r
c h a r g e - d e n s i t y
r o u t i n e
f o r
c a s e
" f u l l g m a t " .
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 |