mod_VLLNS Module
- B. Drittler
-
- 29 statements
- Source File
To determine the non-spherical wavefunctions the potential has to be lm1 and lm2 dependent. the potential is stored only as lm dependent , therefore a transformation in the following way has to be done: where are the gaunt coeffients. (see notes by B. Drittler)
Note
attention : The gaunt coeffients are stored in an index array only for lm1.gt.lm2 (see subroutine gaunt) R. Zeller Sep. 2000: modified
Subroutines
public subroutine VLLNS(VNSPLL, VINS, CLEB, ICLEB, IEND, NCLEB, LMAXATOM, LMMAXATOM, LMPOTATOM, IRMIND, IRMD)
- Author
- B. Drittler
- License
- Category
- special-functions, potential, KKRimp
T r a n s f o r m a t i o n
o f
t h e
w a v e f u n c t i o n s
f o r
n o n
s p h e r i c a l
p o t e n t i a l s .
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | VNSPLL(LMMAXATOM,LMMAXATOM,IRMIND:IRMD) | ||||
| double precision | :: | VINS(IRMIND:IRMD,LMPOTATOM) | ||||
| double precision | :: | CLEB(NCLEB,2) | ||||
| integer | :: | ICLEB(NCLEB,4) | ||||
| integer | :: | IEND | ||||
| integer | :: | NCLEB | ||||
| integer | :: | LMAXATOM | ||||
| integer | :: | LMMAXATOM | ||||
| integer | :: | LMPOTATOM | ||||
| integer | :: | IRMIND | ||||
| integer | :: | IRMD |