Editing Gv vasp.sh

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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 (to be read with p4v, for example)

'''Used files/subprograms''': x.mInv


1) COMMENT: first of all, download the program:

       [[Image:gv_vasp.tgz]]

and uncompress it.

       ''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:

       [[Image: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 file