Commit ac6d77f5 authored by Daniel Wortmann's avatar Daniel Wortmann

Fix #386 by correcting output

parent 2d756db5
......@@ -282,14 +282,14 @@ CONTAINS
l = fj + 0.5e0*isign(1, kappa(k)) + 0.01e0
lnum(k) = l
WRITE (6, FMT=8050) nprnc(k), kappa(k), l, fj,&
& occ(k, ispin), eig(k, ispin), rev(k, ispin)
& occ(k, isp), eig(k, isp), rev(k, isp)
ENDDO
!
!---> guess enpara if it doesn't exist, using floating energy parameters
!
i = atoms%jri(ntyp) - (log(4.0)/atoms%dx(ntyp) + 1.51)
vbar(ispin) = vr1(i, ispin)/(rnot*exp(atoms%dx(ntyp)*(i - 1)))
WRITE (6, '(/,'' reference energy = '',2f12.6,/)') vbar(ispin)
vbar(isp) = vr1(i, isp)/(rnot*exp(atoms%dx(ntyp)*(i - 1)))
WRITE (6, '(/,'' reference energy = '',2f12.6,/)') vbar(isp)
ENDDO
8030 FORMAT(/, /, /, ' $$$ error: not converged, dist=', f10.6,/)
......
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