Editing Batch dehydrogenation

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This program removes one atom from a molecular chain, elongating a bond to make the initial guess of a transition state. It is specially thinked for dehydrogenation reactions. This program is helpful when coupled with the Improved Dimer Method. Couple this program with a script that generates for you the temporal input files you need and move the output to the corresponding POSCARs in the desired folder. 

Please see instructions in the [[Media:breaker.tgz|breaker.tgz]], and execute the example before further using. 

Golder rules to make your scripts:

 Think at least 5 different ways to do it, and then choose the better, simpler, more elegant. 
 Your initial idea is probably a very bad one. 
 Use labels wisely.
 Think, then do.