[QE-users] Errors in vc-relax calculations for a supercell

[Paolo Giannozzi]

On Fri, Sep 24, 2021 at 10:18 PM Shaona Bose <
shaona.bose at kgpian.iitkgp.ac.in> wrote:

  ecutwfc =   4.0424258546d+00
>

4 Ry is an extremely small cutoff. Likely you have more processors than
plane waves

Paolo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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