[CP2K-user] [CP2K:15374] Cell constant calculation

Krack Matthias (PSI) matthi... at psi.ch
Sat May 15 13:38:03 UTC 2021


The relaxed edge lengths of your simulation cell are printed as |a|, |b|, and |c| which are all roughly 9.281 A.


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


How to determine cell constant. Here i am attaching the screenshot of my output file.

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/CALSDoYbWVBDahDvxqYhRjJa8R_-6FbPt_umM49Do7d%3De8N%3DpiQ%40mail.gmail.com<https://groups.google.com/d/msgid/cp2k/CALSDoYbWVBDahDvxqYhRjJa8R_-6FbPt_umM49Do7d%3De8N%3DpiQ%40mail.gmail.com?utm_medium=email&utm_source=footer>.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210515/7acc8629/attachment.htm>

More information about the CP2K-user mailing list