Editing Coco.sh

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The script ''coco.sh'' starts its job with a POSCAR/CONTCAR input file, it changes it to a format that gaussview can read, runs gaussview so you can change the coordinates of the atoms as you like, and then translates back the .com file to a POSCAR/CONTCAR file, removing the old one.

'''Launching''': ''coco.sh file queue proc''
                 ''file'': it's the input (and the output) file: POSCAR or CONTCAR
 
                 ''queue'' is the type of processor where I want to run the calculation
                 Available options: c0 q0 c4m8 c8m24

                 ''proc'' is the number of processors
                 

'''Example''':   you are in the directory ~/Trabajo/blabla and run  ''coco.sh CONTCAR c4m8 16 ''  ==> the scripts creates a new file called CONTCAR and a job script called ''blabla.sub'' ready to be run with qsub on c4m8, 16 procs (tekla2).

'''Output file''': ''file'' (where ''file'' can be either POSCAR or CONTCAR)

'''Used files/subprograms''': ''pos2xcry.pl, xcr_gv.sh, gview, gv_vasp.sh, adjust.sh'' (in the Luca's version)




== INSTALLATION STEPS ==



1) Download the program:

       [[Image:coco.tgz]]

and uncompress it.


2) The file is ready to be run IF AND ONLY IF you have installed successfully all its subprograms/subfiles. If not, go back to [[Useful_scripts]] and download each of the scripts you need, and install each of them!!!!!