Dear Vishal, In "vc-relax" (vc stands for variable cell) calculation the cell is also relaxed to a target pressure.
Best regards, Subhodip On Sun, Apr 24, 2016 at 2:28 AM, Vishal Gupta <[email protected]> wrote: > Hi all, > I am running vc-relax calculation for a system but it doesn't converge. On > the other hand, relax calculation converges. > If I use the relax calculation, will the output be any different from what > would have been the vc-relax output ? > Thank you. > Best Regards, > Vishal Gupta > > B.Tech. 3rd year Mechanical > Indian Institute of Technology Ropar > Rupnagar (140001), Punjab, India. > Email :- [email protected] > RMML, IIT Ropar > <https://sites.google.com/a/iitrpr.ac.in/ropar-mechanics-of-materials-laboratory/people> > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum > -- *Subhodip Chatterjee* *Junior Research Fellow* *Department of Chemistry* *University of Calcutta* *Kolkata, India*
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