mod_calctmat Module
Summary: Calculate the t-matrices for the actual system Author: Phivos Mavropoulos, Hubert Ebert, Voicu Popescu Category: KKRimp, single-site
Subroutines
public subroutine CALCTMAT(eryd, vpot, cell, zatom, lmaxatom, tmatll, config, ispin, nspin)
- Author
- Phivos Mavropoulos, Hubert Ebert, Voicu Popescu
- License
- Category
- KKRimp, single-site
C a l c u l a t e
t h e
t
m a t r i c e s
f o r
t h e
a c t u a l
s y s t e m
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| complex(kind=dpc), | intent(in) | :: | eryd | |||
| real(kind=dp), | intent(in) | :: | vpot(1:cell%nrmaxd,(2*lmaxatom+1)**2) | |||
| type(CELL_TYPE), | intent(in) | :: | cell | |||
| real(kind=dp), | intent(in) | :: | zatom | |||
| integer, | intent(in) | :: | lmaxatom | |||
| complex(kind=dpc) | :: | tmatll((lmaxatom+1)**2,(lmaxatom+1)**2) | ||||
| type(config_type), | intent(in) | :: | config | |||
| integer, | intent(in) | :: | ispin | |||
| integer, | intent(in) | :: | nspin |