Commit d53c919a authored by Gregor Michalicek's avatar Gregor Michalicek

Fix writing potentials in io/writeBasis.F90

parent b0eca425
......@@ -8,7 +8,7 @@ MODULE m_writeBasis
CONTAINS
SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION,results,eig_id,oneD,sphhar,stars,vacuum)
SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DIMENSION,results,eig_id,oneD,sphhar,stars,vacuum)
USE m_types
USE m_juDFT
......@@ -38,6 +38,8 @@ SUBROUTINE writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION,r
TYPE(t_sym),INTENT(IN) :: sym
TYPE(t_cell),INTENT(IN) :: cell
TYPE(t_potden), INTENT(IN) :: vTot
TYPE(t_potden), INTENT(IN) :: vCoul
TYPE(t_potden), INTENT(IN) :: vx
TYPE(t_mpi), INTENT(IN) :: mpi
TYPE(t_results), INTENT(INOUT):: results
INTEGER, INTENT(IN) :: eig_id
......@@ -609,9 +611,9 @@ write(*,*)numbands,ndbands
CALL h5fclose_f(fileID, hdfError)
!-------------------------write potential--------------------
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,1,vTot%iter,vTot%mt,vTot%pw,vTot%vacz,vTot%vacxy)
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,2,vTot%iter,vTot%mt,vTot%pw,vTot%vacz,vTot%vacxy)
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,3,vTot%iter,vTot%mt,vTot%pw,vTot%vacz,vTot%vacxy)
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,POT_ARCHIVE_TYPE_TOT_const,vTot%iter,vTot%mt,vTot%pw,vTot%vacz,vTot%vacxy)
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,POT_ARCHIVE_TYPE_COUL_const,vCoul%iter,vCoul%mt,vCoul%pw,vCoul%vacz,vCoul%vacxy)
CALL writePotential(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,POT_ARCHIVE_TYPE_X_const,vx%iter,vx%mt,vx%pw,vx%vacz,vx%vacxy)
......
......@@ -401,7 +401,7 @@ CONTAINS
CALL forcetheo%postprocess()
IF ((input%gw.GT.0).AND.(mpi%irank.EQ.0)) THEN
CALL writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,mpi,DIMENSION,results,eig_id,oneD,sphhar,stars,vacuum)
CALL writeBasis(input,noco,kpts,atoms,sym,cell,enpara,vTot,vCoul,vx,mpi,DIMENSION,results,eig_id,oneD,sphhar,stars,vacuum)
END IF
CALL enpara%mix(mpi,atoms,vacuum,input,vTot%mt(:,0,:,:),vtot%vacz)
......
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