mod_normcoeff_so_torq Module
- Guillaume Géranton
-
- 186 statements
- Source File
Calculates the KKR matrix elements for the torque operator, i.e.,
Note
Details are in http://arxiv.org/pdf/1602.03417v1.pdf
This subroutine was adapted from NORMCOEFF_SO.
Subroutines
public subroutine normcoeff_so_torq(natom, ircut, lmmax0d, pns, ntcell, ipan, lmsp, ksra, cleb, icleb, iend, drdi, irws, visp, nspin, vins, irmin, mode)
- Author
- Guillaume Géranton
- License
- Category
- physical-observables, KKRhost
C a l c u l a t e s
t h e
K K R
m a t r i x
e l e m e n t s
f o r
t h e
t o r q u e
o p e r a t o r
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | natom | |||
| integer, | intent(in), | dimension(0:ipand, natypd) | :: | ircut |
R points of panel borders |
|
| integer, | intent(in) | :: | lmmax0d |
(LMAX+1)^2 |
||
| complex(kind=dp), | intent(in), | dimension(nspind*lmmax0d, nspind*lmmax0d, irmd, 2, natom) | :: | pns | ||
| integer, | intent(in), | dimension(*) | :: | ntcell |
Index for WS cell |
|
| integer, | intent(in), | dimension(natypd) | :: | ipan |
Number of panels in non-MT-region |
|
| integer, | intent(in), | dimension(natypd, *) | :: | lmsp |
0,1 : non/-vanishing lm=(l,m) component of non-spherical potential |
|
| integer, | intent(in) | :: | ksra | |||
| real(kind=dp), | intent(in), | dimension(*) | :: | cleb |
GAUNT coefficients (GAUNT) |
|
| integer, | intent(in), | dimension(ncleb, 4) | :: | icleb |
Pointer array |
|
| integer, | intent(in) | :: | iend | |||
| real(kind=dp), | intent(in), | dimension(irmd, natypd) | :: | drdi |
Derivative dr/di |
|
| integer, | intent(in), | dimension(*) | :: | irws |
R point at WS radius |
|
| real(kind=dp), | intent(in), | dimension(irmd, *) | :: | visp |
spherical part of the potential |
|
| integer, | intent(in) | :: | nspin |
Counter for spin directions |
||
| real(kind=dp), | intent(in), | dimension(irmind:irmd, lmpotd, *) | :: | vins |
non-spher. part of the potential |
|
| integer, | intent(in), | dimension(*) | :: | irmin |
Max R for spherical treatment |
|
| integer, | intent(in) | :: | mode |