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.
Abinit version suitable for Yambo 4
Moderator: Conor Hogan
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Re: Abinit version suitable for Yambo 4
Thierry Clette
Student at Université Libre de Bruxelles, Belgium
Student at Université Libre de Bruxelles, Belgium
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Re: Abinit version suitable for Yambo 4
Hello,
Now it is already 2019 and I am interested in the same question:
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.
Now it is already 2019 and I am interested in the same question:
Is this problem now fixed?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.
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.
You do not have the required permissions to view the files attached to this post.
Dr. Aleksandr Terentjev
Donostia International Physics Center (DIPC),
E-20018 Donostia, Basque Country, Spain.
http://dipc.ehu.es/
Donostia International Physics Center (DIPC),
E-20018 Donostia, Basque Country, Spain.
http://dipc.ehu.es/
- Davide Sangalli
- Posts: 624
- Joined: Tue May 29, 2012 4:49 pm
- Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy
- Contact:
Re: Abinit version suitable for Yambo 4
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.
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
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
CNR-ISM, Division of Ultrafast Processes in Materials (FLASHit) and MaX Centre
https://sites.google.com/view/davidesangalli
http://www.max-centre.eu/
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- Joined: Tue Feb 16, 2016 12:34 pm
Re: Abinit version suitable for Yambo 4
Dear Davide,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.
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/
Donostia International Physics Center (DIPC),
E-20018 Donostia, Basque Country, Spain.
http://dipc.ehu.es/