Dire2cart.py: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
No edit summary |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 4: | Line 4: | ||
1: Download and uncompress Dire2cart.tgz: tar -zxf Dire2cart.tgz ; | 1: Download and uncompress Dire2cart.tgz: tar -zxf Dire2cart.tgz ; | ||
2: Copy dire2cart.py to bin folder: cp dire2cart.py ~/bin | |||
2: Copy dire2cart.py to bin folder: cp dire2cart.py ~/bin ; | |||
3: chmod u+x ~/bin/dire2cart.py | 3: chmod u+x ~/bin/dire2cart.py | ||
(By default, this script will convert POSCAR only | (By default, this script will convert POSCAR only) | ||
Or you can edit the script, change POSCAR to CONTCAR in line 8 | |||
If you want convert CONTCAR, | |||
copy CONTCAR to POSCAR and run it. | |||
Or | |||
you can edit the script, change POSCAR to CONTCAR in line 8. | |||
Even though you can do it from p4vasp, with this you can convert them in batch. | Even though you can do it from p4vasp, with this you can convert them in batch. | ||
Latest revision as of 10:14, 23 March 2016
go back to Main Page, Computational Resources, Scripts, Scripts for VASP
1: Download and uncompress Dire2cart.tgz: tar -zxf Dire2cart.tgz ;
2: Copy dire2cart.py to bin folder: cp dire2cart.py ~/bin ;
3: chmod u+x ~/bin/dire2cart.py
(By default, this script will convert POSCAR only)
If you want convert CONTCAR,
copy CONTCAR to POSCAR and run it.
Or
you can edit the script, change POSCAR to CONTCAR in line 8.
Even though you can do it from p4vasp, with this you can convert them in batch.