Commit db89db77 authored by Daniel Wortmann's avatar Daniel Wortmann

Fixes for fully-fully noco

parent 9994de1e
......@@ -134,7 +134,7 @@ SUBROUTINE cdnval(eig_id, mpi,kpts,jspin,noco,input,banddos,cell,atoms,enpara,st
CALL denCoeffs%init(atoms,sphhar,jsp_start,jsp_end)
! The last entry in denCoeffsOffdiag%init is l_fmpl. It is meant as a switch to a plot of the full magnet.
! density without the atomic sphere approximation for the magnet. density. It is not completely implemented (lo's missing).
CALL denCoeffsOffdiag%init(atoms,noco,sphhar,.FALSE.)
CALL denCoeffsOffdiag%init(atoms,noco,sphhar,noco%l_mtnocopot)
CALL force%init1(input,atoms)
CALL orb%init(atoms,noco,jsp_start,jsp_end)
......
......@@ -79,6 +79,7 @@ CONTAINS
den%theta_mt(imesh,n) = theta
den%phi_mt(imesh,n) = phi
ENDDO
den%mt(:,0:,n,:)=0.0
CALL mt_from_grid(atoms,sphhar,nsp,n,2,ch,den%mt(:,0:,n,:))
DO i=1,atoms%jri(n)
den%mt(i,:,n,:)=den%mt(i,:,n,:)*atoms%rmsh(i,n)**2
......@@ -123,6 +124,7 @@ CONTAINS
ch(imesh,3) = beff*SIN(theta)*COS(phi)
ch(imesh,4) = beff*SIN(theta)*SIN(phi)
ENDDO
vtot%mt(:,0:,n,:)=0.0
CALL mt_from_grid(atoms,sphhar,nsp,n,4,ch,vtot%mt(:,0:,n,:))
DO i=1,atoms%jri(n)
vtot%mt(i,:,n,:)=vtot%mt(i,:,n,:)*atoms%rmsh(i,n)**2
......
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