mod_mdirnewang Module
After correcting MVEVI with the Fermi energy value MVEVIEF (outside
this routine) it calculates the new angles of the local frame quantization
axis with respect to the global frame
Uses
-
- mod_datatypes
- mod_constants
Subroutines
public subroutine mdirnewang(it, nmvec, mvevi, mvphi, mvtet, mvgam, natypd, lmaxd, nmvecmax)
- License
- Category
- physical-observables, KKRhost
C a l c u l a t e s
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Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer, | intent(in) | :: | it |
Current atom type |
||
| integer, | intent(in) | :: | nmvec | |||
| complex(kind=dp), | intent(in), | dimension(natypd, 3, nmvecmax) | :: | mvevi | ||
| real(kind=dp), | intent(out), | dimension(natypd,nmvecmax) | :: | mvphi | ||
| real(kind=dp), | intent(out), | dimension(natypd,nmvecmax) | :: | mvtet | ||
| real(kind=dp), | intent(out), | dimension(natypd,nmvecmax) | :: | mvgam | ||
| integer, | intent(in) | :: | natypd |
Number of kinds of atoms in unit cell |
||
| integer, | intent(in) | :: | lmaxd |
Maximum l component in wave function expansion |
||
| integer, | intent(in) | :: | nmvecmax |