Pos2pot: Difference between revisions
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This version works with in conjunction with [[potgenpbe5.3]] which you can change in line 116 if you prefer some other version. | This version works with in conjunction with [[potgenpbe5.3]] which you can change in line 116 if you prefer some other version. | ||
script: [[pos2pot | '''Instructions''': Put it in your ~/bin/ folder ($ vim ~/bin/pos2pot) and make it executable ($ chmod +x potgen). | ||
script: [[pos2pot]] | |||
Latest revision as of 10:37, 7 November 2019
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: [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