IffGit has a new shared runner for building Docker images in GitLab CI. Visit https://iffgit.fz-juelich.de/examples/ci-docker-in-docker for more details.

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

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 @@ ...@@ -195,7 +195,7 @@
WRITE (27,913) WRITE (27,913)
CLOSE (27) 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 ""') 901 FORMAT ('set xlabel ""')
902 FORMAT ('set ylabel "E - E_F (eV)"') 902 FORMAT ('set ylabel "E - E_F (eV)"')
903 FORMAT ('set nokey') 903 FORMAT ('set nokey')
......
...@@ -231,10 +231,10 @@ CONTAINS ...@@ -231,10 +231,10 @@ CONTAINS
DO i = 1, atoms%nat DO i = 1, atoms%nat
WRITE(atoms%label(i),'(i0)') i WRITE(atoms%label(i),'(i0)') i
END DO END DO
DO i = 1, atoms%ntype DO iType = 1, atoms%ntype
noel(i) = namat_const(atoms%nz(i)) noel(iType) = namat_const(atoms%nz(iType))
atomTypeSpecies(i) = i atomTypeSpecies(iType) = iType
speciesRepAtomType(i) = i speciesRepAtomType(iType) = iType
hybrid%lcutm1(iType) = 4 hybrid%lcutm1(iType) = 4
hybrid%lcutwf(iType) = atoms%lmax(iType) - atoms%lmax(iType) / 10 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