[QE-users] QHA calculations

[Claudio A. Perottoni]

Dear Henry,

The file provided by you is not an input file for QE. It is a script that
generates input files for QE. Try to execute it running
./run_Phonon_DOS.sh  It should generate input files and execute the
calculations if you have your computer appropriately configured.

Claudio


On Fri, Jan 29, 2021 at 5:04 AM henry odhiambo via users <
users at lists.quantum-espresso.org> wrote:

> Hi everyone,
>
> I am calculating thermal properties using the QHA. However, I get the
> following error output in the matdyn.out file:
>
>
> %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>     Error in routine matdyn (5010):
>     reading input namelist
>
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>
>     stopping ...
>
> Could anyone help locate the problem. Input file is attached.
>
> Henry Odhiambo Otunga
> Department of Physics and Materials Science
> Maseno University
> Kenya_______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 

*Claudio A. Perottoni*

Universidade de Caxias do Sul
95070-560 Caxias do Sul - RS - Brazil
http://www.researcherid.com/rid/B-8409-2008
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