! This file is copied and modified from QUANTUM ESPRESSO ! Kun Cao, Henry Lambert, Feliciano Giustino ! Copyright (C) 2008 Quantum ESPRESSO group ! This file is distributed under the terms of the ! GNU General Public License. See the file `License' ! in the root directory of the present distribution, ! or http://www.gnu.org/copyleft/gpl.txt . ! SUBROUTINE apply_dpot(nrxxs, aux1, dvscfins, current_spin) ! ! This routine applies the change of the self consistent potential to ! one wavefunction ! USE kinds, ONLY : DP USE noncollin_module, ONLY : noncolin, npol, nspin_mag USE spin_orb, ONLY : domag IMPLICIT NONE INTEGER, INTENT(IN) :: current_spin, nrxxs COMPLEX(DP), INTENT(IN) :: dvscfins(nrxxs,nspin_mag) COMPLEX(DP), INTENT(INOUT) :: aux1(nrxxs,npol) COMPLEX(DP) :: sup, sdwn INTEGER :: ir IF (noncolin) THEN IF (domag) then DO ir = 1, nrxxs sup=aux1(ir,1)*(dvscfins(ir,1)+dvscfins(ir,4))+ & aux1(ir,2)*(dvscfins(ir,2)-(0.d0,1.d0)*dvscfins(ir,3)) sdwn=aux1(ir,2)*(dvscfins(ir,1)-dvscfins(ir,4)) + & aux1(ir,1)*(dvscfins(ir,2)+(0.d0,1.d0)*dvscfins(ir,3)) aux1(ir,1)=sup aux1(ir,2)=sdwn ENDDO ELSE DO ir = 1, nrxxs aux1(ir,:)=aux1(ir,:)*dvscfins(ir,1) ENDDO ENDIF ELSE DO ir = 1, nrxxs aux1(ir,1)=aux1(ir,1)*dvscfins(ir,current_spin) ENDDO ENDIF RETURN END SUBROUTINE apply_dpot