Commit 2bb003bf authored by Gregor Michalicek's avatar Gregor Michalicek

More color in the standard band.gnu file

...also: Fixed an uninitialized variable in init/old_inp/fleur_init_old.F90
parent e1f9ac53
......@@ -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')
......
......@@ -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
......
Markdown is supported
0% or
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment