[Pw_forum] Relax or vc-relax
1009ukumar at gmail.com
Mon Jul 24 12:09:18 CEST 2017
Relax will only relax your atomic positions, while vc-relax will relax
as well lattice parameters. Please read the documentation of pw.x for
With kind regards,
Dr. S Kumar, Post doctoral fellow
Physical Sciences and Engineering Divison,
IBN Sina Building, KAUST,
On Sun, Jul 23, 2017 at 10:36 PM, Rajesh <creativeidleminds at gmail.com>
> Dear users
> Which option is better for geometry optimisation: relax or vc-relax.
> Please suggest I am new to quantum espresso.
> Thank you
> Pw_forum mailing list
> Pw_forum at pwscf.org
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