'quantumespresso.dynmat' doesn't exist

[Witty Yonng]

Hi,

"dynmat.x" is very useful in quantumespresso, but I can't find "quantumespresso.dynmat" plugin. What can I do to solve the problem?

Thanks~

Best,

Witty

[Sebastiaan Huber]

Hi,

It indeed does not yet exist.
There are two options:

* Implement it yourself, following the documentation online [1] (Could have a look at the implementation of `MatdynCalculation` [2] as an example)
* Submit a feature request on the `aiida-quantumespresso` repository [3]

Hope that helps,

Sebastiaan

[1] https://aiida.readthedocs.io/projects/aiida-core/en/latest/howto/plugin_codes.html
[2] https://github.com/aiidateam/aiida-quantumespresso/blob/develop/src/aiida_quantumespresso/calculations/matdyn.py
[3] https://github.com/aiidateam/aiida-quantumespresso/issues

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[Rita Maji]

Hi,

I would like to know the status of dynmat.x.  Is it already included or plan for the next release?

Thanks,

Rita

[Marnik Bercx]

Hi Rita,

Not yet, unfortunately. As Sebastiaan suggested, you can open a feature request on the GitHub repository [1], or look into implementing the plugin yourself.

I’d be happy to work on providing support for `dynmat.x`, but can’t promise I’ll find the time to do this soon. If you open an issue and provide some input/output files, that’d already help immensely!

Best,

Marnik

[1] https://github.com/aiidateam/aiida-quantumespresso/issues

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[RITA MAJI]

Hi,

Thanks for your reply.

I have opened an issue.

I am now running the same calculation without Aiida. Are those inputs/outputs useful?

Thanks,

Rita

=============================

Rita Maji

Dip. di Scienze e Metodi dell'Ingegneria
Università di Modena e Reggio Emilia(UNIMORE)
via Amendola 2, Padiglione Tamburini
42122 Reggio Emilia, Italy.
Tel: 0522-522638

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