[QE-users] Do not reuse previous rho during relaxations

[Paolo Giannozzi]

Try pot_extrapolation='none'

Paolo

On Mon, Aug 3, 2020 at 12:49 PM Antoine Jay <ajay at laas.fr> wrote:

> Dear all,
> Is it possible to perform a relaxation calculation without using the
> charge density of the previous geometry?
> startingpot and startingwfc have no influence on the second optimized
> geometry...
>
> Best regards,
>
> Antoine Jay
> LAAS-CNRS
> Toulouse, France _______________________________________________
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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