Commit 0d2aa259 authored by Daniel Wortmann's avatar Daniel Wortmann

Fixed cdinf=t mode

parent 27cca03f
List of BUGS/ things not tested or implemented:
-omp bug in vmtxc oder xcall
-MPI version not compiling
-DOS IO needs testing
-Wannier part
-Hybrid functionals
-vdW
......
......@@ -12,7 +12,7 @@ CONTAINS
& cell,&
& l_mcd,ncored,ncore,e_mcd,&
& efermi,nsld,oneD)
USE m_eig66_io,ONLY:read_dos
USE m_eig66_io,ONLY:read_dos,read_eig
USE m_evaldos
USE m_cdninf
USE m_types
......@@ -99,6 +99,8 @@ CONTAINS
ENDIF
DO ikpt=1,kpts%nkpt
call read_eig(eig_id,ikpt,kspin,&
bk=bkpt,wk=wk,neig=ne,eig=eig)
call read_dos(eig_id,ikpt,kspin,&
& qal(:,:,:,kspin),qvac(:,:,ikpt,kspin),&
& qis(:,ikpt,kspin),&
......
......@@ -325,7 +325,7 @@ CONTAINS
endif
eig_id=open_eig(&
mpi%mpi_comm,dimension%nbasfcn,dimension%neigd,kpts%nkpt,dimension%jspd,atoms%lmaxd,&
atoms%nlod,atoms%ntypd,atoms%nlotot,noco%l_noco,.true.,.false.,n_size,layers=vacuum%layers,nstars=vacuum%nstars,ncored=dimension%nstd,nsld=atoms%natd,nat=atoms%natd,l_dos=banddos%dos,l_mcd=banddos%l_mcd,l_orb=banddos%l_orb)
atoms%nlod,atoms%ntypd,atoms%nlotot,noco%l_noco,.true.,.false.,n_size,layers=vacuum%layers,nstars=vacuum%nstars,ncored=dimension%nstd,nsld=atoms%natd,nat=atoms%natd,l_dos=banddos%dos.or.input%cdinf,l_mcd=banddos%l_mcd,l_orb=banddos%l_orb)
ALLOCATE ( a(matsize), stat = err )
IF (err.NE.0) THEN
WRITE (*,*) 'eigen: an error occured during allocation of'
......
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