Lines Matching defs:PAWIter_HF

811   SUBROUTINE PAWIter_HF(Grid,PAW,mix,err0,err,success)  subroutine
812     TYPE(GridInfo), INTENT(IN) :: Grid
813     TYPE(PseudoInfo), INTENT(INOUT) :: PAW
814     REAL(8) , INTENT(IN) :: mix,err0
815     REAL(8) , INTENT(OUT) :: err
816     LOGICAL , INTENT(OUT) :: success
818     INTEGER :: i,j,k,l,li,lj,n,io,jo,ib,jb,kb,lb,norbit,irc,nbase,nocc
819     INTEGER, ALLOCATABLE :: tmap(:)
820     REAL(8) , ALLOCATABLE :: arg(:),rhs(:),rv(:),aden(:),v1(:),v2(:),o(:,:)
821     REAL(8) , ALLOCATABLE :: Xv(:,:),Xiv(:,:)
822     TYPE(OrbitInfo), POINTER :: PSO
823     TYPE(OrbitInfo) :: tmpOrbit
824     REAL(8) :: occ,x,y,q,v0term,en,val
825     INTEGER :: fcount=0
826     REAL(8), PARAMETER :: threshold=1.d-8
827     CHARACTER(4) :: stuff