[CP2K-user] [CP2K:17663] Re: Use small cell for supercell guess?

[mdsimula...@gmail.com]

What would be the complications in doing something like that? From a 
simplistic view, since it's periodic, the small unit cell wavefunction 
should also be periodic?

On Tuesday, September 13, 2022 at 8:38:11 AM UTC-4 mattwa... at gmail.com 
wrote:

> 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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