Commit 2059abc0 authored by Andrea Hanke's avatar Andrea Hanke

bug fix for EELS code - no negative results anymore :D

parent 86ebb042
......@@ -414,13 +414,13 @@ MODULE m_corespec_eval
!!$ do m2 = -l2,l2
!!$ lm2 = l2*(l2+1)+m2
csv%dosb(1,1,lm1,lm1,iband) = dble(eigVecCoeffs%acof(iband,lm1,iatom,ispin)*&
&conjg(eigVecCoeffs%acof(iband,lm1,iatom,ispin)))*we(1)
&conjg(eigVecCoeffs%acof(iband,lm1,iatom,ispin)))!*we(1)
csv%dosb(1,2,lm1,lm1,iband) = dble(eigVecCoeffs%acof(iband,lm1,iatom,ispin)*&
&conjg(eigVecCoeffs%bcof(iband,lm1,iatom,ispin)))
csv%dosb(2,1,lm1,lm1,iband) = dble(eigVecCoeffs%bcof(iband,lm1,iatom,ispin)*&
&conjg(eigVecCoeffs%acof(iband,lm1,iatom,ispin)))
csv%dosb(2,2,lm1,lm1,iband) = dble(eigVecCoeffs%bcof(iband,lm1,iatom,ispin)*&
&conjg(eigVecCoeffs%bcof(iband,lm1,iatom,ispin)))*we(1)*usdus%ddn(l1,csi%atomType,ispin)
&conjg(eigVecCoeffs%bcof(iband,lm1,iatom,ispin)))!*we(1)*usdus%ddn(l1,csi%atomType,ispin)
!!!!! this has to be checked: is >> ddn << factor necessary !!!!!
!!$ enddo
!!$ enddo
......
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