Pos2pot: Difference between revisions
Jump to navigation
Jump to search
Kkarajovic (talk | contribs) New page: 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:... |
mNo edit summary |
||
| (One intermediate revision by one other user not shown) | |||
| Line 5: | Line 5: | ||
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. | ||
'''Instructions''': Put it in your ~/bin/ folder ($ vim ~/bin/pos2pot) and make it executable ($ chmod +x potgen). | |||
script: [[pos2pot]] | 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