[QE-users] vc relax &cell namelist error

Paolo Giannozzi p.giannozzi at gmail.com
Sat Jan 16 09:16:37 CET 2021


&ions must precede &cell

On Sat, Jan 16, 2021 at 9:10 AM Satyasiban Dash ph19d005 <
ph19d005 at smail.iitm.ac.in> wrote:

> Dear members,
>  Is it possible to do a vc-relax setting ibrav=0 and not providing celldm?
>  I tried it and although i specified &cell namelist , each time it says it
> can not find &cell namelist but when I am running relax , I am facing no
> problem.
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-- 
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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