mod_gauntharmonics Module
Defines the variable for the gaunt coefficient and computes Gaunt coefficients and spherical harmonics
Variables
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| type(gauntcoeff_type), | public, | allocatable | :: | gauntcoeff(:) |
Subroutines
public subroutine gauntharmonics_set()
- License
- Category
- KKRimp, special-functions
C a l c u l a t e s
t h e
g a u n t
c o e f f i c i e n t s
a n d
s p h .
h a r m o n i c s
Arguments
Nonepublic subroutine GAUNTHARMONICS_getlmaxbounds(lmaxatom, natom, lmaxbounds) Deprecated
- Author
- B. Drittler
- License
- Category
- KKRimp
G e t
l m a x
b o u n d s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | lmaxatom(natom) | |||
| integer, | intent(in) | :: | natom | |||
| integer, | intent(inout) | :: | lmaxbounds(2) |
public subroutine GAUNTHARMONICS_GAUNT1(LMAX, LPOT, W, YR, CLEB, LOFLM, ICLEB, IEND, JEND, NCLEB, LMAXD, LMGF0D, LMPOTD)
- Author
- B. Drittler
- License
- Category
- KKRimp, special-functions
C o m p u t e s
g a u n t
c o e f f i c i e n t s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | LMAX | ||||
| integer | :: | LPOT | ||||
| double precision | :: | W(*) | ||||
| double precision | :: | YR(4*LMAXD,0:4*LMAXD,0:4*LMAXD) | ||||
| double precision | :: | CLEB(NCLEB,2) | ||||
| integer | :: | LOFLM(*) | ||||
| integer | :: | ICLEB(NCLEB,4) | ||||
| integer | :: | IEND | ||||
| integer | :: | JEND(LMPOTD,0:LMAXD,0:LMAXD) | ||||
| integer | :: | NCLEB | ||||
| integer | :: | LMAXD | ||||
| integer | :: | LMGF0D | ||||
| integer | :: | LMPOTD |
public subroutine GAUNTHARMONICS_GAUNT2(W, YR, N)
- Author
- M. Weinert, B. Drittler
- License
- Category
- KKRimp, special-functions
C o m p u t e s
G a u n t
c o e f f i c i e n t s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | W(*) |
integration weights on 4*LMAXD points in the interval (-1,0) (from routine GRULE) |
|||
| double precision | :: | YR(N,0:N,0:N) |
spherical harmonics on 4LMAXD points to angular momentum indices (l,m) scaled with a factor of RF=(4pi)**(1/3) |
|||
| integer | :: | N |
public subroutine GAUNTHARMONICS_GRULE(N, X, W)
- Author
- P.J. Davis and P. Rabinowitz
- License
- Category
- KKRimp, special-functions
G e n e r a t e s
G a u s s - L e g e n d r e
p o i n t s
a n d
w e i g h t s
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | N | ||||
| double precision | :: | X(*) | ||||
| double precision | :: | W(*) |