[xcrysden] Error: while executing exec sh optcoor

[markus.becker85 at outlook.de]

Dear Tone,

Thanks for your reply. Attached you find the QE output-file. Maybe is it due to the usage of the Environ addon? I use QE and Environ with the Cygwin interface for Win10. It is based on the example01 from Environ "h2o_vacuum" and I performed the calculation with my own system settings. It seems that the run was successful.

Kind regards
Markus
________________________________
Von: xcrysden-bounces at democritos.it <xcrysden-bounces at democritos.it> im Auftrag von Tone Kokalj <tone.kokalj at ijs.si>
Gesendet: Montag, 1. August 2022 13:16
An: xcrysden at democritos.it <xcrysden at democritos.it>
Betreff: Re: [xcrysden] Error: while executing exec sh optcoor

Dear Markus,

To provide any help or hints on your problem, you will need to provide
more information: at least the pertinent pw.x output file and the
operating system you are using.

Best regards, Tone
--
Jožef Stefan Institute, Ljubljana, Slovenia

On Thu, 2022-07-28 at 14:58 +0000, markus.becker85 at outlook.de wrote:
> Hello,
>
> get this error message when trying to open the optimized ccordinates
> of a Quantum Espresso pw output-file:
>
> Error: while executing exec sh .../xcrysden-1.6.2-bin-
> shared/scripts/pwo2xsf.sh --optcoor ....
>
> I am using the newest version 1.6.2 and my QE version is quite new,
> i.e. 7.0. I found in some forum compatibility problems and update
> suggestions, however, I already use the newest version of xcrysden.
> Maybe someone has an idea on this.
>
> Best regards
> Markus
> _______________________________________________
> XCrySDen mailing list
> XCrySDen at democritos.it
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