Cell constant calculation

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sumit agrawal

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May 15, 2021, 9:11:05 AM5/15/21
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Hii,

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





cell-vector.JPG

Krack Matthias (PSI)

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May 15, 2021, 9:38:09 AM5/15/21
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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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sumit agrawal

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May 16, 2021, 11:51:29 PM5/16/21
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Thanks a lot!!!

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