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

[Krack Matthias (PSI)]

Hi

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

M.

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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