Commit 19de5dee by Matthias Redies

### indent that too

parent e37dde81
 ... ... @@ -256,33 +256,33 @@ CONTAINS ! ! output ! WRITE (6, FMT=8030) dist conv = .false. WRITE (6, FMT=8030) dist conv = .false. ! list eigenvalues 190 IF (conv) WRITE (6, FMT=8040) it, dist DO ispin = 1, input%jspins WRITE (6, '(a8,i2)') 'spin No.', ispin DO k = 1, nst fj = iabs(kappa(k)) - 0.5e0 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) ENDDO 190 IF (conv) WRITE (6, FMT=8040) it, dist DO ispin = 1, input%jspins WRITE (6, '(a8,i2)') 'spin No.', ispin DO k = 1, nst fj = iabs(kappa(k)) - 0.5e0 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) 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) ENDDO 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) ENDDO 8030 FORMAT(/, /, /, ' \$\$\$ error: not converged, dist=', f10.6,/) 8040 FORMAT(/, /, 3x, 'converged in', i4, ' iterations to a distance of',& & e12.5, ' har', /, /, 3x, 'n kappa l j ', 5x,& & 'occ. eigenvalue (har) ',/) 8050 FORMAT(3x, i1, i5, i5, f6.1, 2(3x, f7.2, 1x, 2f12.6)) 8060 FORMAT('it,dist,p=', i4, 2f12.5) 8030 FORMAT(/, /, /, ' \$\$\$ error: not converged, dist=', f10.6,/) 8040 FORMAT(/, /, 3x, 'converged in', i4, ' iterations to a distance of',& & e12.5, ' har', /, /, 3x, 'n kappa l j ', 5x,& & 'occ. eigenvalue (har) ',/) 8050 FORMAT(3x, i1, i5, i5, f6.1, 2(3x, f7.2, 1x, 2f12.6)) 8060 FORMAT('it,dist,p=', i4, 2f12.5) END SUBROUTINE atom2 END MODULE m_atom2 END SUBROUTINE atom2 END MODULE m_atom2
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