[Pw_forum] Reading *.out file
Ilya Ryabinkin
igryabinkin at gmail.com
Fri Nov 3 12:19:29 CET 2017
If it's not a bug, do you use coordinates given in terms of unit cell
fractions? For cubic cells then the only alat(1) will change.
--
Ilya
On Fri, Nov 3, 2017 at 3:17 AM, Amar Singh <amarsingh122014 at rediffmail.com>
wrote:
> Dear Friends,
> My vc-relax *.out file shows the same celldm parameters at the end of
> file as in the beginning, though the volume of cell has changed. Why it is
> so, and how can I find the new optimized lattice parameters.
> Can any software convert this *.out file to *.cif or any other format
> where I can see the lattice parameters.
> thanks
> Amar
>
>
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--
*******************************************************
Ilya Ryabinkin
Postdoctoral Scholar
Physical and Environmental Sciences
University of Toronto Scarborough
http://www.utsc.utoronto.ca/~aizmaylov/Members.html
*******************************************************
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