Commit 77291aae authored by Matthias Redies's avatar Matthias Redies

fix last commit

parent 042f597f
......@@ -94,9 +94,6 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
REAL :: sumOcc, addCharge, subCharge, addChargeWeight, subChargeWeight
REAL :: rhs, totz, theta
REAL, PARAMETER :: degenEps = 0.00001
REAL, PARAMETER :: convCrit = 1.0e-6
REAL, PARAMETER :: minOcc = 1.0e-8
LOGICAL :: converged, l_qfix, l_zref
REAL, PARAMETER :: convCrit = 5.0e-6
REAL, PARAMETER :: minOcc = 1.0e-13
LOGICAL :: converged, l_qfix, l_restart, l_zref
......@@ -268,7 +265,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
ALLOCATE(zintn_rSSDen(MAXVAL(results%neig(1:kpts%nkpt,1:input%jspins)),kpts%nkpt,input%jspins))
ALLOCATE(vmdSSDen(MAXVAL(results%neig(1:kpts%nkpt,1:input%jspins)),kpts%nkpt,input%jspins))
zintn_rSSDen(:,:,:) = 0.0
vmdSSDen(:,:,:) = 0.0
......@@ -346,7 +343,7 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
DO i = 1, atoms%jri(iType)
mt(i,iType) = singleStateDen%mt(i,0,iType,jsp)
END DO
DO j = 1,atoms%jri(iType)
dpj(j) = mt(j,iType)/atoms%rmsh(j,iType)
END DO
......
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