band gap

[celio angel]

thank you very much, Mr. Ralph for your  réponse.then can you  tell me how 
to insert in input file the HOMO-LUMO gap control in the OT section to 
calculate the value of the energy gap.

Le mercredi 16 juillet 2014 23:51:24 UTC+2, celio angel a écrit :
>
>  Dear all users CP2K, I want to calculate the density of charge.how to 
> insrt in input file
>   greeting
>
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