From 2bb003bf91642dc0beffe4d55ca9d9c571e74d5d Mon Sep 17 00:00:00 2001 From: Gregor Michalicek Date: Thu, 26 Jul 2018 17:52:41 +0200 Subject: [PATCH] More color in the standard band.gnu file ...also: Fixed an uninitialized variable in init/old_inp/fleur_init_old.F90 --- init/bandstr1.F | 2 +- init/old_inp/fleur_init_old.F90 | 8 ++++---- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/init/bandstr1.F b/init/bandstr1.F index e2466b5f..e8f7b570 100644 --- a/init/bandstr1.F +++ b/init/bandstr1.F @@ -195,7 +195,7 @@ WRITE (27,913) CLOSE (27) - 900 FORMAT ('set terminal postscript enhanced "Times-Roman" 20') + 900 FORMAT ('set terminal postscript enhanced color "Times-Roman" 20') 901 FORMAT ('set xlabel ""') 902 FORMAT ('set ylabel "E - E_F (eV)"') 903 FORMAT ('set nokey') diff --git a/init/old_inp/fleur_init_old.F90 b/init/old_inp/fleur_init_old.F90 index cb999c7d..553e36aa 100644 --- a/init/old_inp/fleur_init_old.F90 +++ b/init/old_inp/fleur_init_old.F90 @@ -231,10 +231,10 @@ CONTAINS DO i = 1, atoms%nat WRITE(atoms%label(i),'(i0)') i END DO - DO i = 1, atoms%ntype - noel(i) = namat_const(atoms%nz(i)) - atomTypeSpecies(i) = i - speciesRepAtomType(i) = i + DO iType = 1, atoms%ntype + noel(iType) = namat_const(atoms%nz(iType)) + atomTypeSpecies(iType) = iType + speciesRepAtomType(iType) = iType hybrid%lcutm1(iType) = 4 hybrid%lcutwf(iType) = atoms%lmax(iType) - atoms%lmax(iType) / 10 -- GitLab