Commit 19de5dee authored by Matthias Redies's avatar 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(/, /, /, ' $$$ error: not converged, dist=', f10.6,/)
8040 FORMAT(/, /, 3x, 'converged in', i4, ' iterations to a distance of',&
& e12.5, ' har', /, /, 3x, 'n kappa l j ', 5x,&
& 'occ. eigenvalue (har) <r> ',/)
8050 FORMAT(3x, i1, i5, i5, f6.1, 2(3x, f7.2, 1x, 2f12.6))
8060 FORMAT('it,dist,p=', i4, 2f12.5)
8030 FORMAT(/, /, /, ' $$$ 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) <r> ',/)
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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