mod_rhooutnew Module
Subroutines
public subroutine rhooutnew(gauntcoeff, df, gmatin, ek, cellnew, wavefunction, rho2nsc, nsra, lmaxd, lmaxatom, lmmaxatom, lmsize, lmsize2, lmpotd, irmd, ispin, nspinden, imt1, cden, cdenlm, cdenns, shapefun, corbital, gflle_part)
- License
- Category
- physical-observables, KKRimp
C a l c u l a t i o n
o f
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
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| type(gauntcoeff_type) | :: | gauntcoeff | ||||
| complex(kind=dp) | :: | df | ||||
| complex(kind=dp) | :: | gmatin(lmsize,lmsize) | ||||
| complex(kind=dp) | :: | ek | ||||
| type(CELL_TYPENEW) | :: | cellnew | ||||
| type(wavefunction_type) | :: | wavefunction | ||||
| complex(kind=dp) | :: | rho2nsc(irmd,lmpotd,nspinden) | ||||
| integer | :: | nsra | ||||
| integer | :: | lmaxd | ||||
| integer | :: | lmaxatom | ||||
| integer | :: | lmmaxatom | ||||
| integer | :: | lmsize | ||||
| integer | :: | lmsize2 | ||||
| integer | :: | lmpotd | ||||
| integer | :: | irmd | ||||
| integer | :: | ispin | ||||
| integer | :: | nspinden | ||||
| integer | :: | imt1 | ||||
| complex(kind=dp) | :: | cden(irmd,0:lmaxd,nspinden) | ||||
| complex(kind=dp) | :: | cdenlm(irmd,lmmaxatom,nspinden) | ||||
| complex(kind=dp) | :: | cdenns(irmd,nspinden) | ||||
| type(shapefun_type), | intent(in) | :: | shapefun | |||
| integer | :: | corbital | ||||
| complex(kind=dp) | :: | gflle_part(lmsize,lmsize) |