M a i n
d r i v e r
f o r
v a l e n c e
c h a r g e
d e n s i t y ,
n e w
s o l v e r
Type | Intent | Optional | Attributes | Name | ||
---|---|---|---|---|---|---|
complex(kind=dp), | intent(in) | :: | eryd | |||
integer, | intent(in) | :: | ie | |||
complex(kind=dp), | intent(in) | :: | wez | |||
type(CELL_TYPENEW), | intent(in) | :: | cellnew | |||
type(wavefunction_type), | intent(in) | :: | wavefunction | |||
type(CELL_TYPE), | intent(in) | :: | cell | |||
complex(kind=dp), | intent(in) | :: | gmatll(:,:) | |||
integer, | intent(in) | :: | iatom | |||
integer, | intent(in) | :: | ispin | |||
integer, | intent(in) | :: | nspin | |||
type(shapefun_type), | intent(in) | :: | shapefun | |||
type(gauntcoeff_type), | intent(in) | :: | gauntcoeff | |||
real(kind=dp), | intent(in) | :: | zatom | |||
type(DENSITY_TYPE), | intent(inout) | :: | density | |||
integer, | intent(in) | :: | lmaxatom | |||
integer, | intent(in) | :: | lmmaxatom | |||
type(config_type), | intent(in) | :: | config | |||
integer, | intent(in) | :: | lmaxd | |||
type(ENERGYPARTS_TYPE), | intent(inout) | :: | energyparts | |||
integer, | intent(in) | :: | kspinorbit | |||
integer, | intent(in) | :: | use_fullgmat | |||
integer, | intent(in) | :: | nspinden | |||
real(kind=dp), | intent(in) | :: | efermi | |||
type(ldau_type), | intent(in) | :: | ldau |
lda+u variables |