Commit 38b3b433 authored by Robin Hilgers's avatar Robin Hilgers

Does that acutally build or did I mess up?

parent 971871e8
......@@ -27,7 +27,7 @@ MODULE m_flipcdn
CONTAINS
SUBROUTINE flipcdn(atoms,input,vacuum,sphhar,stars,sym,noco,oneD,cell)
USE m_rotdenmat
USE m_constants
USE m_cdn_io
USE m_types
......@@ -59,7 +59,7 @@ SUBROUTINE flipcdn(atoms,input,vacuum,sphhar,stars,sym,noco,oneD,cell)
DO itype=1, atoms%ntype
l_flip(itype)=MERGE(.TRUE.,.FALSE.,(atoms%flipSpinPhi(itype).NE.0.0) .AND.(atoms%flipSpinTheta(itype).NE.0.0))
END DO
!rot_den_mat(alph,beta,rho11,rho22,rho21)
CALL den%init(stars,atoms,sphhar,vacuum,noco,input%jspins,POTDEN_TYPE_DEN)
IF(noco%l_noco) THEN
archiveType = CDN_ARCHIVE_TYPE_NOCO_const
......@@ -78,9 +78,7 @@ SUBROUTINE flipcdn(atoms,input,vacuum,sphhar,stars,sym,noco,oneD,cell)
! spherical and non-spherical m.t. charge density
DO lh = 0,sphhar%nlh(atoms%ntypsy(na))
DO j = 1,atoms%jri(itype)
! rhodummy = den%mt(j,lh,itype,1)
! den%mt(j,lh,itype,1) = den%mt(j,lh,itype,input%jspins)
! den%mt(j,lh,itype,input%jspins) = rhodummy
CALL rot_den_mat(atoms%flipSpinPhi(itype),atoms%flipSpinTheta(itype),den%mt(j,lh,itype,1),den%mt(j,lh,itype,2),den%mt(j,lh,itype,3))
END DO
END DO
ELSE IF (l_flip(itype).AND.atoms%l_flipSpinScale) THEN
......
......@@ -1022,9 +1022,10 @@ CONTAINS
TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_potden), INTENT(IN) :: div!, phiPot, divGrx, divGry, divGrz, &
!xcBmodx, xcBmody, xcBmodz
CHARACTER(len=20) :: divName
divName='divergence'
CALL savxsf(stars, atoms, sphhar, vacuum, input, oneD, sym, cell, noco, &
.FALSE., .FALSE., 'divergence', div)
.FALSE., .FALSE., divName, div)
!CALL savxsf(stars, atoms, sphhar, vacuum, input, oneD, sym, cell, noco, &
! .FALSE., .TRUE., 'modPot', phiPot)
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment