CP2K_exercises:C2H2 and C2H4 bond energy

Shengjie Wang theancientg... at gmail.com
Sun Jul 12 06:47:37 UTC 2015

Dear Michae
        Thanks for your help.After your advise,I read the example again.The 
input file is simple to accomplish,but it is a fixed bond length so it 
needs a script to  modify the C-C distance in the input and generate a 
curve with the length.So,it is my work to learn to built such a script and 
make it dance.
        Shengjie Wang
在 2015年7月11日星期六 UTC+8下午3:52:06,Shengjie Wang写道:
> Dear cp2k expert,
>       I'm newbi user cp2k,doing exercises on the exercise page:
> http://www.cp2k.org/exercises:2015_ethz_mmm:c2h2_bond_energy.
>      I got the two questions: 
>       1:They tell me to load the module for the cp2k program,but I can't 
> find them.Do I have to download something and recompile it?
>       2:The command "bsub" is related to the operating system , is it 
> right?
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