mod_vllns Module
- B. Drittler
-
- 40 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
Uses
-
- mod_datatypes
Subroutines
public subroutine vllns(vnspll, vins, cleb, icleb, iend, irm, ncleb, lmpot, irmind, lmmaxd)
- Author
- B. Drittler
- License
- Category
- special-functions, potential, KKRhost
Transformation of the wavefunctions for non spherical potentials.
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| real(kind=dp), | intent(out), | dimension (lmmaxd, lmmaxd, irmind:irm) | :: | vnspll | ||
| real(kind=dp), | intent(in), | dimension (irmind:irm, lmpot) | :: | vins |
Non-spherical part of the potential |
|
| real(kind=dp), | intent(in), | dimension (ncleb, 2) | :: | cleb |
GAUNT coefficients (GAUNT) |
|
| integer, | intent(in), | dimension (ncleb, 4) | :: | icleb |
Pointer array |
|
| integer, | intent(in) | :: | iend | |||
| integer, | intent(in) | :: | irm |
Maximum number of radial points |
||
| integer, | intent(in) | :: | ncleb |
Number of Clebsch-Gordon coefficients |
||
| integer, | intent(in) | :: | lmpot |
(LPOT+1)**2 |
||
| integer, | intent(in) | :: | irmind |
IRM-IRNSD |
||
| integer, | intent(in) | :: | lmmaxd |
(KREL+KORBIT+1)(LMAX+1)^2 |