Commit 592aef9b authored by Gregor Michalicek's avatar Gregor Michalicek

Bugfix: Move vTotSSDen initialization to the start of rdmft/rdmft.F90 to avoid resetting to 0.0

parent 277cf742
...@@ -80,6 +80,8 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di ...@@ -80,6 +80,8 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di
CALL convol(stars,vTot%pw_w(:,jspin),vTot%pw(:,jspin),stars%ufft) CALL convol(stars,vTot%pw_w(:,jspin),vTot%pw(:,jspin),stars%ufft)
END DO END DO
vTotSSDen = 0.0
! Calculate all single state densities ! Calculate all single state densities
cdnvalJob%l_evp = .FALSE. cdnvalJob%l_evp = .FALSE.
cdnvalJob%nkptExtended = kpts%nkpt cdnvalJob%nkptExtended = kpts%nkpt
...@@ -164,7 +166,6 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di ...@@ -164,7 +166,6 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,di
#endif #endif
overallVCoulSSDen = 0.0 overallVCoulSSDen = 0.0
vTotSSDen = 0.0
DO jspin = 1, input%jspins DO jspin = 1, input%jspins
jsp = MERGE(1,jspin,noco%l_noco) jsp = MERGE(1,jspin,noco%l_noco)
DO ikpt = 1, kpts%nkpt DO ikpt = 1, kpts%nkpt
......
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