[CP2K-user] [CP2K:14204] BOMD

[sumit agrawal]

Thank you Thomas !!!

On Thu, Nov 12, 2020 at 12:44 PM Thomas Kühne <tku... at gmail.com> wrote:

> Dear Sumit,
>
> please have a look at: https://www.cp2k.org/howto:md and other provided
> HowTo topics: https://www.cp2k.org/howto
> The following exercise page also contains quite a few examples including
> sample inputs: https://www.cp2k.org/exercises
> Moreover, please check the regtest folder within your cp2k distribution
> for example files of most implemented features.
>
> Cheers,
> Thomas
>
> Am 12.11.2020 um 07:22 schrieb sumit agrawal <sumitag... at gmail.com>:
>
> Dear all
>
> I want to do BOMD calculation using CP2K. Can anyone suggest me how to
> start BOMD calculation ?
>
> I have a desktop of 8GB RAM with an i5 processor. Can I use this desktop
> for such a type of calculation ?
>
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>
> ==============================
> Thomas D. Kühne
> Dynamics of Condensed Matter
> Chair of Theoretical Chemistry
> University of Paderborn
> Warburger Str. 100
> D-33098 Paderborn
> Germany
> tdku... at mail.upb.de
> +49/(0)5251/60-5726
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