CALCWLDAU Subroutine
public subroutine CALCWLDAU(NSPIN, NATOM, LMAXD, IRMD, LMAXATOM, DENSITY, STRMIX, QBOUND_LDAU, LDAU)
Uses
-
- type_density
- nrtype
- TYPE_LDAU
- mod_rclm
- MOD_RWLDAUPOT
non-relativistic case Author: Category: KKRimp, single-site, electrostatics, potential, lda+u
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NSPIN | ||||
| integer | :: | NATOM | ||||
| integer | :: | LMAXD | ||||
| integer | :: | IRMD | ||||
| integer | :: | LMAXATOM(:) | ||||
| type(DENSITY_TYPE) | :: | DENSITY(:) | ||||
| real(kind=8) | :: | STRMIX | ||||
| real(kind=8) | :: | QBOUND_LDAU | ||||
| type(LDAU_TYPE), | ALLOCATABLE | :: | LDAU(:) |