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 <[email protected]> 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 > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- ******************************************************* Ilya Ryabinkin Postdoctoral Scholar Physical and Environmental Sciences University of Toronto Scarborough http://www.utsc.utoronto.ca/~aizmaylov/Members.html *******************************************************
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