FORCE Subroutine
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- KKRimp, physical-observables
- 52 statements
- Source File
public subroutine FORCE(FLM, FLMC, LMAX, NSPIN, NATOM, VPOT, DENSITY, CELL, IRMD, LMPOTD, INS)
Calculates the force on nucleus m from a given non spherical charge density at the nucleus site r with core correction (coulomb 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) | ||||
| integer | :: | IRMD | ||||
| integer | :: | LMPOTD | ||||
| integer | :: | INS |