Abinit version suitable for Yambo 4

Forum for discussing issues arising with interfacing the Abinit code (KSS) file with Yambo.

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Re: Abinit version suitable for Yambo 4

Postby Flex » Sat Mar 04, 2017 12:27 pm

Thanks for the detailed answer.

I will be using abinit 8.0.8 with etsf-io libraries and use e2y, that should be alright for the time being.
Thierry Clette
Student at Université Libre de Bruxelles, Belgium
Flex
 
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Re: Abinit version suitable for Yambo 4

Postby Alesster » Tue Apr 09, 2019 11:35 am

Hello,

Now it is already 2019 and I am interested in the same question:
Flex wrote:Has there been some progress on this matter ? I use the latest version of Abinit (8.2) and Yambo 4.1.2 and I was wondering if the incompatibility for a2y had been fixed.

Is this problem now fixed?

I tried to use Abinit v.8.6.3 and Yambo v.4.2.4

I could run the command
a2y -F KSS-file
and generate yambo.in with
yambo -i -V all

But then when I am running yambo it gives me error:
[02.01] Unit cells
==================

Unit cell is Unknown
==================

For the generation of KSS-file with abinit I use attached file.

Is it problem of version compatibility, abinit input or something else?

Thank you,
Sasha.
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Dr. Aleksandr Terentjev
Donostia International Physics Center (DIPC),
E-20018 Donostia, Basque Country, Spain.
http://dipc.ehu.es/
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Re: Abinit version suitable for Yambo 4

Postby Davide Sangalli » Tue Apr 09, 2019 5:32 pm

Dear Aleksandr,
the new interface between abinit and yambo (based on the WFK files) has been coded and imported in the main branch of the development version.

This means that it is not yet available as a GPL release unfortunately, but it will be part of the next yambo release.
Likely in few months. For sure before the end of 2019, since a release is scheduled for November 2019 (MaX project).

Best,
D.
Davide Sangalli, PhD
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
http://www.ism.cnr.it/en/davide-sangalli-cv/
http://www.max-centre.eu/
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Davide Sangalli
 
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Re: Abinit version suitable for Yambo 4

Postby Alesster » Wed Apr 10, 2019 9:56 am

Davide Sangalli wrote:Dear Aleksandr,
the new interface between abinit and yambo (based on the WFK files) has been coded and imported in the main branch of the development version.

This means that it is not yet available as a GPL release unfortunately, but it will be part of the next yambo release.
Likely in few months. For sure before the end of 2019, since a release is scheduled for November 2019 (MaX project).

Best,
D.

Dear Davide,
Thank you for the fast reply.
So, it means if I use the official version of Abinit I need to use e2y. Isn't it?

It would be good if in the official Yambo web-page there is detail information about compatibility between different versions of Yambo and Abinit/QE. For the moment it is not clear what is compatible and what is not.

Thank you.
Sasha.
Dr. Aleksandr Terentjev
Donostia International Physics Center (DIPC),
E-20018 Donostia, Basque Country, Spain.
http://dipc.ehu.es/
Alesster
 
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