Commit ff82e278 authored by Gregor Michalicek's avatar Gregor Michalicek

Small bugfix in rdmft/rdmft.F90 for multi-iteration runs with this routine

Some arrays had to be deallocated before allocating them (again).
parent 172f765b
......@@ -317,6 +317,11 @@ SUBROUTINE rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars
! Initializations for exchange contributions
IF(ALLOCATED(hybrid%ne_eig)) DEALLOCATE(hybrid%ne_eig)
IF(ALLOCATED(hybrid%nbands)) DEALLOCATE(hybrid%nbands)
IF(ALLOCATED(hybrid%nobd)) DEALLOCATE(hybrid%nobd)
IF(ALLOCATED(hybrid%nbasm)) DEALLOCATE(hybrid%nbasm)
IF(ALLOCATED(hybrid%div_vv)) DEALLOCATE(hybrid%div_vv)
ALLOCATE(hybrid%ne_eig(kpts%nkpt),hybrid%nbands(kpts%nkpt),hybrid%nobd(kpts%nkptf))
ALLOCATE(hybrid%nbasm(kpts%nkptf))
ALLOCATE(hybrid%div_vv(DIMENSION%neigd,kpts%nkpt,input%jspins))
......
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