[Pw_forum] Units in Vc-relax

Manu Hegde mhegde at uwaterloo.ca
Sun Feb 19 03:36:40 CET 2017


Thank you!

On Sat, Feb 18, 2017 at 11:04 AM, stefano de gironcoli <degironc at sissa.it>
wrote:

> On 18/02/2017 16:47, Manu Hegde wrote:
>
> Hello All,
>
> I have performed some vc-relax calculations at the end I am getting,
>
> (criteria: energy <  1.0E-04, force <  1.0E-03, cell <  5.0E-01)
>
> ryd , ryd/a.u., kbar
>
> HTH
>
> stefano
>
>
> What are the units of above quantities?. Hope I will get some answer.
>
> Thanks and Regards,
> Manu
>
> (University of Waterloo)
>
>
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