mod_normcoeff_so_spinflux Module
- Guillaume Géranton
-
- 151 statements
- Source File
Calculates the KKR matrix elements for the spin flux 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_spinflux(natom, ircut, lmmax0d, pns, ksra, drdi, 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
s p i n
f l u x
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) | :: | ksra | |||
| real(kind=dp), | intent(in), | dimension(irmd, natypd) | :: | drdi |
Derivative dr/di |
|
| integer, | intent(in) | :: | mode |