[CP2K-user] [CP2K:14203] BOMD

[Thomas Kühne]

Dear Sumit, 

please have a look at: https://www.cp2k.org/howto:md <https://www.cp2k.org/howto:md> and other provided HowTo topics: https://www.cp2k.org/howto <https://www.cp2k.org/howto>
The following exercise page also contains quite a few examples including sample inputs: https://www.cp2k.org/exercises <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 ? 
> 
> -- 
> You received this message because you are subscribed to the Google Groups "cp2k" group.
> To unsubscribe from this group and stop receiving emails from it, send an email to cp... at googlegroups.com <mailto:cp... at googlegroups.com>.
> To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/CALSDoYZsPTjiyABXffeiRVXu26%2BODRrN%2By_RzQrEyZ7pTKrTPQ%40mail.gmail.com <https://groups.google.com/d/msgid/cp2k/CALSDoYZsPTjiyABXffeiRVXu26%2BODRrN%2By_RzQrEyZ7pTKrTPQ%40mail.gmail.com?utm_medium=email&utm_source=footer>.


==============================
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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20201112/1571999b/attachment.htm>