Commit 8fc38622 authored by Gregor Michalicek's avatar Gregor Michalicek

Write out sum of valence single particle energies to out.xml

parent e2aa49af
......@@ -280,7 +280,13 @@ CONTAINS
!
results%seigv = spindg*DOT_PRODUCT(e(INDEX(:nocst)),we(INDEX(:nocst)))
IF ( mpi%irank == 0 ) WRITE (6,FMT=8040) results%seigv
IF (mpi%irank == 0) THEN
attributes = ''
WRITE(attributes(1),'(f20.10)') results%seigv
WRITE(attributes(2),'(a)') 'Htr'
CALL writeXMLElement('sumValenceSingleParticleEnergies',(/'value','units'/),attributes)
WRITE (6,FMT=8040) results%seigv
END IF
!--- J constants
IF (PRESENT(jij)) THEN
......
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