mod_rhosymm Module
- P. Zahn
-
- 53 statements
- Source File
Symmetrize the charge densities and magnetic moments of atoms which are magnetic
antisymmetric. (dependencies in IXIPOL(*))
Subroutines
public subroutine rhosymm(lmpot, nspin, nstart, nend, rho2ns, ixipol, irws, ircut, ipan, kshape, natyp, irm)
- Author
- P. Zahn
- License
- Category
- physical-observables, KKRhost
S y m m e t r i z e
t h e
c h a r g e
d e n s i t i e s
a n d
m a g n e t i c
m o m e n t s
o f
a t o m s
w h i c h
a r e
m a g n e t i c
_ a n t i s y m m e t r i c _ .
( d e p e n d e n c i e s
i n
I
X
I
P
O
L
(
*
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)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | lmpot |
(LPOT+1)**2 |
||
| integer, | intent(in) | :: | nspin |
Counter for spin directions |
||
| integer, | intent(in) | :: | nstart | |||
| integer, | intent(in) | :: | nend | |||
| real(kind=dp), | intent(inout), | dimension (irm, lmpot, natyp, *) | :: | rho2ns |
radial density |
|
| integer, | intent(in), | dimension (*) | :: | ixipol |
Constraint of spin pol. |
|
| integer, | intent(in), | dimension (*) | :: | irws |
R point at WS radius |
|
| integer, | intent(in), | dimension (0:ipand, *) | :: | ircut |
R points of panel borders |
|
| integer, | intent(in), | dimension (*) | :: | ipan |
Number of panels in non-MT-region |
|
| integer, | intent(in) | :: | kshape |
Exact treatment of WS cell |
||
| integer, | intent(in) | :: | natyp |
Number of kinds of atoms in unit cell |
||
| integer, | intent(in) | :: | irm |
Maximum number of radial points |