Xcr gv.sh

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The script xcr_gv.sh translates the coordinates from the .xcrysden format to a .com format in order to be read with gaussview.

   *) SUMMARY: Launching: xcr_gv.sh file (it searches for a file.xcrysden in the actual directory: be sure you have it!)

   1) COMMENT: first of all, you have to create a directory called VASP/Dxcr_gv in one directory. Inside it put the following files:

      File:Temp01.tgz, File:Temp02.tgz

      and uncompress them. 

      temp.01: don't touch it, the file works perfectly in this way.
      temp.02: don't touch this either; don't worry if the atoms specified here do not match yours... we are not going to run any calculation with
      gaussian!!!

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

      File:Xcr gv.tgz

      and uncompress it.

      Note: YOU HAVE TO CHANGE THE PATH THAT APPEARS IN LINE 13  (path=~/bin/scripts/VASP/Dxcr_gv) with

      the path where you put your temp.01 and temp.02 files (i.e., /home/nlopez/Trabajo/VASP/Dxcr_gv).

   3) Now you can run the script typing:

      xcr_gv.sh CONTCAR/POSCAR