Commit ebbaf8ed authored by Matthias Redies's avatar Matthias Redies

made banddos optional in cdnvalJob_init

parent e7069eae
...@@ -101,7 +101,7 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,& ...@@ -101,7 +101,7 @@ SUBROUTINE cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,&
jspmax = input%jspins jspmax = input%jspins
IF (noco%l_mperp) jspmax = 1 IF (noco%l_mperp) jspmax = 1
DO jspin = 1,jspmax DO jspin = 1,jspmax
CALL cdnvalJob%init(mpi,input,kpts,banddos,noco,results,jspin,sliceplot) CALL cdnvalJob%init(mpi,input,kpts,noco,results,jspin,sliceplot,banddos)
CALL cdnval(eig_id,mpi,kpts,jspin,noco,input,banddos,cell,atoms,enpara,stars,vacuum,dimension,& CALL cdnval(eig_id,mpi,kpts,jspin,noco,input,banddos,cell,atoms,enpara,stars,vacuum,dimension,&
sphhar,sym,vTot,oneD,cdnvalJob,outDen,regCharges,dos,results,moments,coreSpecInput,mcd,slab,orbcomp) sphhar,sym,vTot,oneD,cdnvalJob,outDen,regCharges,dos,results,moments,coreSpecInput,mcd,slab,orbcomp)
END DO END DO
......
...@@ -144,7 +144,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di ...@@ -144,7 +144,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di
jspmax = input%jspins jspmax = input%jspins
IF (noco%l_mperp) jspmax = 1 IF (noco%l_mperp) jspmax = 1
DO jspin = 1,jspmax DO jspin = 1,jspmax
CALL cdnvalJob%init(mpi,input,kpts,banddos,noco,results,jspin) CALL cdnvalJob%init(mpi,input,kpts,noco,results,jspin,banddos=banddos)
CALL cdnval(eig_id,mpi,kpts,jsp,noco,input,banddos,cell,atoms,enpara,stars,vacuum,dimension,& CALL cdnval(eig_id,mpi,kpts,jsp,noco,input,banddos,cell,atoms,enpara,stars,vacuum,dimension,&
sphhar,sym,vTot,oneD,cdnvalJob,overallDen,regCharges,dos,results,moments) sphhar,sym,vTot,oneD,cdnvalJob,overallDen,regCharges,dos,results,moments)
END DO END DO
......
...@@ -445,7 +445,7 @@ SUBROUTINE orbcomp_init(thisOrbcomp,input,banddos,dimension,atoms,kpts) ...@@ -445,7 +445,7 @@ SUBROUTINE orbcomp_init(thisOrbcomp,input,banddos,dimension,atoms,kpts)
END SUBROUTINE orbcomp_init END SUBROUTINE orbcomp_init
SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,banddos,noco,results,jspin,sliceplot) SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,noco,results,jspin,sliceplot,banddos)
USE m_types_setup USE m_types_setup
USE m_types_kpts USE m_types_kpts
...@@ -458,10 +458,10 @@ SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,banddos,noco,results,jspi ...@@ -458,10 +458,10 @@ SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,banddos,noco,results,jspi
TYPE(t_mpi), INTENT(IN) :: mpi TYPE(t_mpi), INTENT(IN) :: mpi
TYPE(t_input), INTENT(IN) :: input TYPE(t_input), INTENT(IN) :: input
TYPE(t_kpts), INTENT(IN) :: kpts TYPE(t_kpts), INTENT(IN) :: kpts
TYPE(t_banddos), INTENT(IN) :: banddos
TYPE(t_noco), INTENT(IN) :: noco TYPE(t_noco), INTENT(IN) :: noco
TYPE(t_results), INTENT(IN) :: results TYPE(t_results), INTENT(IN) :: results
TYPE(t_sliceplot), OPTIONAL, INTENT(IN) :: sliceplot TYPE(t_sliceplot), OPTIONAL, INTENT(IN) :: sliceplot
TYPE(t_banddos), OPTIONAL, INTENT(IN) :: banddos
INTEGER, INTENT(IN) :: jspin INTEGER, INTENT(IN) :: jspin
...@@ -503,7 +503,9 @@ SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,banddos,noco,results,jspi ...@@ -503,7 +503,9 @@ SUBROUTINE cdnvalJob_init(thisCdnvalJob,mpi,input,kpts,banddos,noco,results,jspi
END IF END IF
END DO END DO
IF (banddos%dos) thisCdnvalJob%noccbd(ikpt) = results%neig(ikpt,jsp) IF(PRESENT(banddos)) THEN
IF (banddos%dos) thisCdnvalJob%noccbd(ikpt) = results%neig(ikpt,jsp)
END IF
thisCdnvalJob%nStart(ikpt) = 1 thisCdnvalJob%nStart(ikpt) = 1
thisCdnvalJob%nEnd(ikpt) = thisCdnvalJob%noccbd(ikpt) thisCdnvalJob%nEnd(ikpt) = thisCdnvalJob%noccbd(ikpt)
......
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