Pos2pot

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This script reads your POSCAR and generates POTCAR with pseudopotentials recommended by VASP which are on the page: [1]

This version works with in conjunction with potgenpbe5.3 which you can change in line 116 if you prefer some other version.

Instructions: Put it in your ~/bin/ folder ($ vim ~/bin/pos2pot) and make it executable ($ chmod +x potgen). script: pos2pot