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go back to [[Main Page]], [[Group Pages]], [[Scripts_for_VASP]] This script reads your POSCAR and generates POTCAR with pseudopotentials recommended by VASP which are on the page: [https://cms.mpi.univie.ac.at/vasp/vasp/Recommended_PAW_potentials_DFT_calculations_using_vasp_5_2.html] 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]]
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