[CP2K-user] [CP2K:15375] Cell constant calculation

sumit agrawal sumitag... at gmail.com
Mon May 17 03:51:15 UTC 2021


Thanks a lot!!!

On Sat, May 15, 2021 at 7:08 PM Krack Matthias (PSI) <matthi... at psi.ch>
wrote:

> Hi
>
>
>
> The relaxed edge lengths of your simulation cell are printed as |a|, |b|,
> and |c| which are all roughly 9.281 A.
>
>
>
> M.
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>
> *Von:* cp... at googlegroups.com <cp... at googlegroups.com> *Im Auftrag von *sumit
> agrawal
> *Gesendet:* Samstag, 15. Mai 2021 15:11
> *An:* cp... at googlegroups.com
> *Betreff:* [CP2K:15374] Cell constant calculation
>
>
>
> Hii,
>
>
>
> How to determine cell constant. Here i am attaching the screenshot of my
> output file.
>
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>
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