[Pw_forum] relax or vc-relax
Subhodip Chatterjee
subhopcqc at gmail.com
Tue Apr 26 09:09:38 CEST 2016
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 <vishal.gupta at iitrpr.ac.in>
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 :- vishal.gupta at iitrpr.ac.in
> RMML, IIT Ropar
> <https://sites.google.com/a/iitrpr.ac.in/ropar-mechanics-of-materials-laboratory/people>
>
>
>
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--
*Subhodip Chatterjee*
*Junior Research Fellow*
*Department of Chemistry*
*University of Calcutta*
*Kolkata, India*
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