[QE-users] Error in routine read_namelists (5010):, reading namelist system

[Thomas Brumme]

Dear Maxim,

space group 33 does not have a Wyckoff position 4d but only 4a.
Furthermore, we would need to know the version of QE you're
using. Additionally, if you set

     A=24.98444525,
     B=0.588411037,
     C=1.372938916,

it looks like you actually want to use celldm(1) ... celldm(3) or is
your lattice really just 0.588 Angstrom in the y direction ;)

Cheerio

Thomas


On 11/01/18 13:11, Maxim Arsentev wrote:
>
> Dear  QE users,
>
> When I run my input with "space_group" variable activated, I got whis 
> error:
>
>      Error in routine  read_namelists (5010):
>       reading namelist system
>
> --
> Best wishes,
> Maxim Arsent'ev, Ph.D. (Chemistry)
> Laboratory of research of nanostructures
> Institute of Silicate Chemistry of RAS
>
>
> _______________________________________________
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> users at lists.quantum-espresso.org
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-- 
Dr. rer. nat. Thomas Brumme
Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
Leipzig University
Phillipp-Rosenthal-Strasse 31
04103 Leipzig

Tel:  +49 (0)341 97 36456

email: thomas.brumme at uni-leipzig.de

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