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

[Thomas Brumme]

Dear Maxim,

the option to enter the coordinates using the space group and Wyckoff 
positions
was introduced in version 5.1.1 - so, you either need to update QE or 
use a different
format for your coordinates input.

Regards

Thomas


On 11/01/18 14:49, Максим Арсентьев wrote:
> Dear Thomas,
>
> Thank you for the response, my version is PWSCF v.5.0.2 (svn rev. 9656).
> I changed Wyckoff position into "4a" and celldm as you said, but still 
> the same problem(
>
> -- 
> Best wishes,
> Maxim Arsent'ev, Ph.D. (Chemistry)
> Laboratory of research of nanostructures
> Institute of Silicate Chemistry of RAS

-- 
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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