Commit 21790e95 authored by Gregor Michalicek's avatar Gregor Michalicek

Bugfix for commit 1bb7b83f.

parent d86baa66
......@@ -304,7 +304,7 @@ CONTAINS
IF (.NOT.obsolete%pot8) THEN
CALL timestart("generation of potential")
CALL vgen(hybrid,reap,input,xcpot,DIMENSION, atoms,sphhar,stars,vacuum,&
sym,obsolete,cell, oneD,sliceplot,mpi ,results,noco,inDen,inDenRot,vTot,vx,vCoul,vTemp)
sym,obsolete,cell, oneD,sliceplot,mpi ,results,noco,inDen,inDenRot,vTot,vx,vCoul)
CALL timestop("generation of potential")
IF (mpi%irank.EQ.0) THEN
......@@ -313,7 +313,7 @@ CONTAINS
!---> and down potentials and direction of the magnetic field
IF (noco%l_noco) THEN
CALL timestart("generation of potential-matrix")
CALL vmatgen(stars, atoms,sphhar,vacuum,sym,input,oneD,inDenRot,vTemp)
CALL vmatgen(stars, atoms,sphhar,vacuum,sym,input,oneD,inDenRot,vTot)
CALL timestop("generation of potential-matrix")
ENDIF
!---> end pk non-collinear
......@@ -608,7 +608,7 @@ CONTAINS
input%total = .FALSE.
CALL timestart("generation of potential (total)")
CALL vgen(hybrid,reap,input,xcpot,DIMENSION, atoms,sphhar,stars,vacuum,sym,&
obsolete,cell,oneD,sliceplot,mpi, results,noco,outDen,inDenRot,vTot,vx,vCoul,vTemp)
obsolete,cell,oneD,sliceplot,mpi, results,noco,outDen,inDenRot,vTot,vx,vCoul)
CALL timestop("generation of potential (total)")
CALL potdis(stars,vacuum,atoms,sphhar, input,cell,sym)
......
......@@ -7,7 +7,7 @@ MODULE m_vgen
USE m_juDFT
CONTAINS
SUBROUTINE vgen(hybrid,reap,input,xcpot,DIMENSION, atoms,sphhar,stars,&
vacuum,sym, obsolete,cell,oneD,sliceplot,mpi, results,noco,den,denRot,vTot,vx,vCoul,vNRP)
vacuum,sym, obsolete,cell,oneD,sliceplot,mpi, results,noco,den,denRot,vTot,vx,vCoul)
! ***********************************************************
! FLAPW potential generator *
! ***********************************************************
......@@ -69,7 +69,7 @@ CONTAINS
TYPE(t_sphhar),INTENT(IN) :: sphhar
TYPE(t_atoms),INTENT(INOUT) :: atoms !vr0 is updated
TYPE(t_potden), INTENT(IN) :: den, denRot
TYPE(t_potden),INTENT(INOUT) :: vTot,vx,vCoul,vNRP
TYPE(t_potden),INTENT(INOUT) :: vTot,vx,vCoul
! ..
! .. Scalar Arguments ..
LOGICAL, INTENT (IN) :: reap
......@@ -805,17 +805,17 @@ CONTAINS
CLOSE(9)
ENDIF
vNRP = vTot !store non-reanalyzed potential in vNRP
! **************** reanalyze vpw *************************
! call cpu_time(cp0)
IF (input%total) THEN
DO js=1,input%jspins
DO i=1,stars%ng3
vTot%pw(i,js)=vpw_w(i,js)/stars%nstr(i)
IF (.NOT.noco%l_noco) THEN ! In the noco case this is done in vmatgen...
DO js=1,input%jspins
DO i=1,stars%ng3
vTot%pw(i,js)=vpw_w(i,js)/stars%nstr(i)
ENDDO
ENDDO
ENDDO
END IF
DO js=1,input%jspins
DO i=1,stars%ng3
......@@ -843,7 +843,6 @@ CONTAINS
CALL mpi_bc_potden(mpi,stars,sphhar,atoms,input,vacuum,oneD,noco,vTot)
CALL mpi_bc_potden(mpi,stars,sphhar,atoms,input,vacuum,oneD,noco,vCoul)
CALL mpi_bc_potden(mpi,stars,sphhar,atoms,input,vacuum,oneD,noco,vx)
CALL mpi_bc_potden(mpi,stars,sphhar,atoms,input,vacuum,oneD,noco,vNRP)
#endif
END SUBROUTINE vgen
......
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