[CP2K-user] [CP2K:17658] Re: Use small cell for supercell guess?

Matt Watkins mattwatkinsuk at gmail.com
Tue Sep 13 12:38:11 UTC 2022


No that is not possible within cp2k.

On Monday, 12 September 2022 at 19:33:53 UTC+1 mdsimula... at gmail.com wrote:

> Hello,
>
> Is it possible to converge an SCF for a small unit cell and then use that 
> as the guess for a supercell?
>
> Thanks,
> Frank
>

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