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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