Commit 9a6ab460 authored by Gregor Michalicek's avatar Gregor Michalicek

Much more RDMFT

...still in construction and with a lot of debugging output.
parent c3149b63
......@@ -61,7 +61,6 @@ CONTAINS
USE m_wann_optional
USE m_wannier
USE m_bs_comfort
USE m_gen_map
USE m_dwigner
USE m_ylm
#ifdef CPP_MPI
......@@ -348,8 +347,13 @@ CONTAINS
CALL cdngen(eig_id,mpi,input,banddos,sliceplot,vacuum,DIMENSION,kpts,atoms,sphhar,stars,sym,&
enpara,cell,noco,vTot,results,oneD,coreSpecInput,archiveType,outDen)
IF (.FALSE.) CALL rdmft(eig_id,mpi,input,kpts,banddos,cell,atoms,enpara,stars,vacuum,dimension,&
sphhar,sym,field,vTot,oneD,noco,results)
IF (input%l_rdmft) THEN
SELECT TYPE(xcpot)
TYPE IS(t_xcpot_inbuild)
CALL rdmft(eig_id,mpi,input,kpts,banddos,sliceplot,cell,atoms,enpara,stars,vacuum,dimension,&
sphhar,sym,field,vTot,oneD,noco,xcpot,hybrid,results,coreSpecInput,archiveType,outDen)
END SELECT
END IF
IF (noco%l_soc.AND.(.NOT.noco%l_noco)) DIMENSION%neigd=DIMENSION%neigd/2
......
......@@ -2,5 +2,6 @@ set(fleur_F77 ${fleur_F77}
)
set(fleur_F90 ${fleur_F90}
rdmft/rdmft.F90
rdmft/bfgs_b2.f90
)
This diff is collapsed.
This diff is collapsed.
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment