How to run proton conductivity in CP2K

Linda Sundarti linda... at gmail.com
Tue Jun 23 17:58:41 UTC 2015


To Mr. Samuel Andermatt

May I ask my previous question again.I have run MD simulation to get proton 
conductivity in my case, but I get new problem which is the proton can not 
move (translation motion was not occur), just vibration motion that 
occured. Please suggest me to get translation motion of proton. Is there 
specific keyword in input file in MD simulation to get it?

Regards,
Linda

On Thursday, April 23, 2015 at 2:05:05 AM UTC+7, Linda Sundarti wrote:
>
> To Mr. Samuel Andermant 
>
> thank you for your help. I will try it. 
> I'm so sorry, I have been late to reply. 
>
> Have a nice day

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