mod_convol_kkrimp Module
Calculate convolution of potential with shapefunction.
Subroutines
public subroutine CONVOLDRV(NRMAXD, LMAXD, NSPIN, NATOM, LMAXATOM, cell, gauntshape, shapefun, ZAT, vons)
- License
- Category
- KKRimp, shape-functions, potential
D r i v e r
r o u t i n e
f o r
t h e
c o n v o l u t i o n
m o d u l e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NRMAXD | ||||
| integer | :: | LMAXD | ||||
| integer | :: | NSPIN | ||||
| integer | :: | NATOM | ||||
| integer | :: | LMAXATOM(NATOM) | ||||
| type(CELL_TYPE) | :: | cell(NATOM) | ||||
| type(gauntshape_type) | :: | gauntshape(lmaxd) | ||||
| type(shapefun_type) | :: | shapefun(NATOM) | ||||
| real(kind=8) | :: | ZAT(NATOM) | ||||
| real(kind=8) | :: | vons(nrmaxd,(2*lmaxd+1)**2,nspin,natom) |
thetas(iri,nfund,*), |
public subroutine CONVOL(IMT1, IRC1, IMAXSH, ILM, IFUNM, LMPOT, GSH, THETAS, Z, RFPI, R, VONS, LMSP, IRID, NFUND, IRMD, NGSHD)
- License
- Category
- KKRimp, shape-functions, potential
C o n v o l u t e s
p o t e n t i a l s
w i t h
s h a p e
f u n c t i o n s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | IMT1 | ||||
| integer | :: | IRC1 | ||||
| integer | :: | IMAXSH | ||||
| integer | :: | ILM(NGSHD,3) | ||||
| integer | :: | IFUNM(:) | ||||
| integer | :: | LMPOT | ||||
| double precision | :: | GSH(*) | ||||
| double precision | :: | THETAS(IRID,NFUND) | ||||
| double precision | :: | Z | ||||
| double precision | :: | RFPI | ||||
| double precision | :: | R(IRMD) | ||||
| double precision | :: | VONS(:,:) | ||||
| integer | :: | LMSP(:) | ||||
| integer | :: | IRID | ||||
| integer | :: | NFUND | ||||
| integer | :: | IRMD | ||||
| integer | :: | NGSHD |