MOD_AVERAGEWLDAU Module
For details see notes on LDA+U implementation
Subroutines
public subroutine AVERAGEWLDAU(NATOM, NSPIN, LDAU)
- License
- Category
- potential, lda+u, KKRimp
Averaged LDA+U potential
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NATOM | ||||
| integer | :: | NSPIN | ||||
| type(LDAU_TYPE) | :: | LDAU(:) |