! Ground state of aluminium. Try calculating the density of states by using ! tasks=10 tasks 0 ! You can add notes to the INFO.OUT file using the "notes" block notes Simple calculation of the ground state of aluminium. Must check convergence with respect to k-point set later. Run by H. Golightly avec 1.0 1.0 0.0 1.0 0.0 1.0 0.0 1.0 1.0 scale 3.8267 ! this is the relative path to the species files sppath '../../../species/' atoms 1 : nspecies 'Al.in' : spfname 1 : natoms 0.0 0.0 0.0 0.0 0.0 0.0 : atposl, bfcmt ngridk 4 4 4 vkloff 0.5 0.5 0.5