Gv vasp.sh: Difference between revisions
No edit summary |
No edit summary |
||
| Line 12: | Line 12: | ||
1) | |||
---- | |||
== INSTALLATION STEPS == | |||
1) First of all, download the program: | |||
[[Image:gv_vasp.tgz]] | [[Image:gv_vasp.tgz]] | ||
Revision as of 11:29, 22 June 2010
go back to Main Page, Computational Resources, Scripts, Useful_scripts
The script gv_vasp.sh translates back the coordinates from the .com format to a normal POSCAR/CONTCAR file.
Launching: gv_vasp.sh file (it searches for the file named file.com in the actual directory: be sure you have it!)
Output file: file (without the .com extension; ready to be read with p4v, for example)
Used files/subprograms: x.mInv
INSTALLATION STEPS
1) First of all, download the program:
File:Gv vasp.tgz
and uncompress it.
2) As soon as you have done it, get this:
File:MInv.tgz
uncompress it and compile it: g77 mInv.f -o x.mInv and put it in the directory you want (named, for simplicity, directory A).
3) CHANGE THE PATH THAT APPEARS IN LINE 12 of gv_vasp.sh
/home/lbellarosa/src/complex/Cell ===> path de directory A
the path where you put your x.mInv program (i.e., /home/nlopez/Trabajo/directory A/x.mInv).
3) Now you can run the script typing:
gv_vasp.sh file