mod_wrmoms Module
Write charges and magnetic and orbital moments to file. The output is l-decomposed
Uses
-
- mod_datatypes
Subroutines
public subroutine wrmoms(krel, natyp, nspin, charge, muorb, lmaxd, lmaxd1)
- License
- Category
- physical-observables, KKRhost
W r i t e
c h a r g e s
a n d
m a g n e t i c
a n d
o r b i t a l
m o m e n t s
t o
f i l e
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | krel |
Switch for non- (or scalar-) relativistic/relativistic (Dirac) program (0/1). Attention: several other parameters depend explicitly on KREL, they are set automatically Used for Dirac solver in ASA |
||
| integer, | intent(in) | :: | natyp |
Number of kinds of atoms in unit cell |
||
| integer, | intent(in) | :: | nspin |
Counter for spin directions |
||
| real(kind=dp), | intent(in), | dimension(0:lmaxd1, natyp, 2) | :: | charge | ||
| real(kind=dp), | dimension(0:lmaxd1+1, 3, natyp) | :: | muorb | |||
| integer, | intent(in) | :: | lmaxd |
Maximum l component in wave function expansion |
||
| integer, | intent(in) | :: | lmaxd1 |
lmax+1 |