Vasp2xyz.sh

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The script vasp2xyz.sh translates POSCAR/CONTCAR files to a .xyz format.

Launching: vasp2xyz.sh file (where file is either POSCAR or CONTCAR)

Output file: file.xyz (i.e., POSCAR.xyz or CONTCAR.xyz; ready to be read with vmd or molden, for example)

Used files/subprograms: x.mDir and POTCAR

INSTALLATION STEPS

1) First of all, download the program:

      File:Vasp2xyz.tgz

and uncompress it.

2) As soon as you have done it, get this:

      File:MDir.tgz

uncompress it and compile it: g77 mDir.f -o x.mDir and put it in the directory you want (named, for simplicity, directory A). NOTE: if you don't have g77, try f77. If it doesn't work, ask Martin!!! :)

3) CHANGE THE PATH THAT APPEARS IN LINE 11 of vasp2xyz.sh

  /home/lbellarosa/src/complex/Cell  ===>  path of directory A

the path where you put your x.mDir program (i.e., /home/nlopez/Trabajo/directory A/x.mDir).

4) Now you can run the script typing:

      vasp2xyz.sh file

HAVE FUN, LAD!!!!!