Created a stripped down version to measure timing for hsmt_sph

eigen/eigen_hssetup.F90

@@ -71,17 +71,19 @@ CONTAINS
     ENDDO
 
     
-    CALL timestart("Interstitial part")
+!    CALL timestart("Interstitial part")
     !Generate interstitial part of Hamiltonian
-    CALL hs_int(input,noco,stars,lapw,mpi,cell,isp,v%pw_w,smat,hmat)
-    CALL timestop("Interstitial part")
+!    CALL hs_int(input,noco,stars,lapw,mpi,cell,isp,v%pw_w,smat,hmat)
+!    CALL timestop("Interstitial part")
     CALL timestart("MT part")
       !MT-part of Hamiltonian. In case of noco, we need an loop over the local spin of the atoms
     DO ispin=MERGE(1,isp,noco%l_noco),MERGE(2,isp,noco%l_noco)
        CALL hsmt(atoms,sym,enpara,ispin,input,mpi,noco,cell,lapw,ud,td,smat,hmat)
     ENDDO
     CALL timestop("MT part")
-   
+ 
+    STOP "hsmt_spherical only"
+  
     !Vacuum contributions
     IF (input%film) THEN
        CALL timestart("Vacuum part")

eigen/hsmt.F90

@@ -73,10 +73,10 @@ CONTAINS
              !that is needed and allocated
              CALL hsmt_sph(n,atoms,mpi,ispin,input,noco,1,1,chi_one,lapw,enpara%el0,&
                            td%e_shift(n,ispin),usdus,fj(:,0:,ispin,:),gj(:,0:,ispin,:),smat(1,1),hmat(1,1))
-             CALL hsmt_nonsph(n,mpi,sym,atoms,ispin,1,1,chi_one,noco,cell,lapw,td,&
-                              fj(:,0:,ispin,:),gj(:,0:,ispin,:),hmat(1,1))
-             CALL hsmt_lo(input,atoms,sym,cell,mpi,noco,lapw,usdus,td,fj(:,0:,ispin,:),gj(:,0:,ispin,:),&
-                          n,chi_one,ispin,iintsp,jintsp,hmat(1,1),smat(1,1))
+!             CALL hsmt_nonsph(n,mpi,sym,atoms,ispin,1,1,chi_one,noco,cell,lapw,td,&
+!                              fj(:,0:,ispin,:),gj(:,0:,ispin,:),hmat(1,1))
+!             CALL hsmt_lo(input,atoms,sym,cell,mpi,noco,lapw,usdus,td,fj(:,0:,ispin,:),gj(:,0:,ispin,:),&
+!                          n,chi_one,ispin,iintsp,jintsp,hmat(1,1),smat(1,1))
           ELSEIF(noco%l_noco.AND..NOT.noco%l_ss) THEN
              !The NOCO but non-spinspiral setup follows:
              !The Matrix-elements are first calculated in the local frame of the atom and

main/fleur.F90

@@ -233,11 +233,20 @@ CONTAINS
 !!$                END IF
        !---< gwf
 
+       INQUIRE(file="vtotal",exist=l_cont)
+       IF (l_cont) THEN
+          CALL readDensity(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,archiveType,CDN_INPUT_DEN_const,&
+               0,results%ef,l_qfix,vtot,"vtotal")
+       ELSE
        CALL timestart("generation of potential")
        CALL vgen(hybrid,field,input,xcpot,DIMENSION,atoms,sphhar,stars,vacuum,sym,&
                  obsolete,cell,oneD,sliceplot,mpi,results,noco,inDen,vTot,vx,vCoul)
        CALL timestop("generation of potential")
-
+        CALL writeDensity(stars,vacuum,atoms,cell,sphhar,input,sym,oneD,archiveType,CDN_INPUT_DEN_const,&
+                         0,-1.0,results%ef,.FALSE.,vtot,"vtotal")
+        stop "Potential written"
+     END IF
+  
 #ifdef CPP_MPI
        CALL MPI_BARRIER(mpi%mpi_comm,ierr)
 #endif