[QE-users] calculating lattice constant from cell parameters of vc-relax output

xavier neto jxln_karate at yahoo.com.br
Sat Nov 20 21:57:57 CET 2021


Dear Pooja,

If you want to know the way to perform the "conversion", unfortunately, 
I can't help you but wait and other users can tell you the way.

However, when I have to do this conversion, I use the xcrysden to open 
the QE output file, save it in the xcrysden format and open the file in 
the VESTA. It shows all lattice parameters.


I hope it helps. **
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