Editing 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:

       [[Image:vasp2xyz.tgz]]

and uncompress it.


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

       [[Image: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!!!!!