mod_rites_kkrimp Module
Subroutines
public subroutine RITES(NSPIN, NATOM, ZATOM, ALAT, NRMAXD, LMAXD, INS, QBOUND, EFERMI, VBC, CELL, CORESTATE, LMAXATOM, vpot_out)
- License
- Category
- input-output, KKRimp, potential
Writes the potential file
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | NSPIN | ||||
| integer | :: | NATOM | ||||
| real(kind=8) | :: | ZATOM(NATOM) | ||||
| real(kind=8) | :: | ALAT | ||||
| integer | :: | NRMAXD | ||||
| integer | :: | LMAXD | ||||
| integer | :: | INS | ||||
| real(kind=8) | :: | QBOUND | ||||
| real(kind=8) | :: | EFERMI | ||||
| real(kind=8) | :: | VBC(2) | ||||
| type(CELL_TYPE) | :: | CELL(NATOM) | ||||
| type(corestate_type) | :: | CORESTATE(NATOM) | ||||
| integer | :: | LMAXATOM(NATOM) | ||||
| real(kind=8) | :: | vpot_out(:,:,:,:) |