[Pw_forum] Relax or vc-relax

Sonu Kumar 1009ukumar at gmail.com
Mon Jul 24 12:09:18 CEST 2017

Relax will only relax your atomic positions, while vc-relax will relax
atomic positions
as well lattice parameters. Please read the documentation of pw.x for

bests, sonu

With kind regards,
Dr. S Kumar, Post doctoral fellow
Physical Sciences and Engineering  Divison,
IBN Sina Building, KAUST,
Thuwal, KSA

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
> Rajesh
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