MOD_FORCXC Module
Calculates the force on nucleus m from a given non spherical charge density at the nucleus site r with core correction(exchange contribution)
Subroutines
public subroutine FORCXC(FLM, FLMC, LMAX, NSPIN, NATOM, VPOT, DENSITY, CELL, ALAT, LMPOTD, IRMD, INS)
- License
- Category
- KKRimp, physical-observables, xc-potential
Calculates force on nucleus with core correction (xc-contribution)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | FLM(-1:1,NATOM) | ||||
| double precision | :: | FLMC(-1:1,NATOM) | ||||
| integer | :: | LMAX | ||||
| integer | :: | NSPIN | ||||
| integer | :: | NATOM | ||||
| double precision | :: | VPOT(IRMD,LMPOTD,NSPIN,NATOM) | ||||
| type(DENSITY_TYPE) | :: | DENSITY(NATOM) | ||||
| type(CELL_TYPE) | :: | CELL(NATOM) | ||||
| double precision | :: | ALAT | ||||
| integer | :: | LMPOTD | ||||
| integer | :: | IRMD | ||||
| integer | :: | INS |