# Tag Info

You can start with this bash script for Aluminum to begin Note: Make sure to fix two quantities while changing third one among INCAR,KPOINTS,POSCAR Lattice optimization for i in seq -w 4.01 0.01 4.05 # change the range needed do cat <<EOF >POSCAR Al bulk FCC $i 0 0.5 0.5 0.5 0 0.5 0.5 0.5 0 1 direct 0.0 0.0 0.0 EOF mkdir$i cp INCAR \$i/ cp ...