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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