Editing Pos2xcry.pl

    1) COMMENT: first of all, you have to create a file named "atoms.dat" in one directory. This file looks like:

       [[atoms.dat]]

       with one atom type per line, and in the same order you have them in your POSCAR file.

    2) As soon as you have done it, copy this pos2xcry.pl:

       [[posxcry.pl]]

       BUT YOU HAVE TO CHANGE THE PATH THAT APPEARS ON LINE 29  (/home/lbellarosa/Lavoro/IRMOF-Zn/atoms.dat) with

      the path where you put your atoms.dat file (i.e./home/nlopez/Trabajo/atoms.dat).

    3) Now you can run the script typing:

       pos2xcry.pl CONTCAR/POSCAR