Commit bdda3a59 authored by Daniel Wortmann's avatar Daniel Wortmann

updated fleur_init

parent 682c1aeb
......@@ -122,17 +122,19 @@
OPEN (16,status='SCRATCH')
ENDIF
ALLOCATE(t_xcpot_inbuild::xcpot)
IF (mpi%irank.EQ.0) THEN
CALL fleurinput_read_xml(cell,sym,atoms,input,noco,vacuum,field,&
sliceplot,banddos,hybrid,oneD,coreSpecInput,wann,&
xcpot,forcetheo_data,kpts,enparaXML)
sliceplot,banddos,hybrid,oneD,coreSpecInput,wann,&
xcpot,forcetheo_data,kpts,enparaXML)
END IF
CALL fleurinput_mpi_bc(cell,sym,atoms,input,noco,vacuum,field,&
sliceplot,banddos,hybrid,oneD,coreSpecInput,wann,&
xcpot,forcetheo_data,kpts,enparaXML,mpi%mpi_comm)
sliceplot,banddos,hybrid,oneD,coreSpecInput,wann,&
xcpot,forcetheo_data,kpts,enparaXML,mpi%mpi_comm)
CALL timestart("postprocessInput")
CALL postprocessInput(mpi,input,field,sym,stars,atoms,vacuum,kpts,&
oneD,hybrid,cell,banddos,sliceplot,xcpot,forcetheo,&
......@@ -146,14 +148,7 @@
.TRUE.,[.TRUE.,.TRUE.,.TRUE.,.TRUE.])
END IF
#ifdef CPP_MPI
CALL initParallelProcesses(atoms,vacuum,input,stars,sliceplot,banddos,&
DIMENSION,cell,sym,xcpot,noco,oneD,hybrid,&
kpts,enpara,sphhar,mpi)
#endif
CALL ylmnorm_init(atoms%lmaxd)
!
!--> determine more dimensions
......
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