Vxc changes when two component spinors are included

Deals with issues related to computation of optical spectra, solving the Bethe-Salpeter equation.

Moderators: Davide Sangalli, andrea.ferretti, myrta gruning, andrea marini, Daniele Varsano

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Davide Sangalli
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Re: Vxc changes when two component spinors are included

Post by Davide Sangalli » Thu Oct 23, 2014 6:59 pm

Dear Towfiq,

once you get an account you should request to join the project. See here.
http://www.yambo-code.org/download/index.php

The sentence 'only for developers' is just a default sentence of the qe-forge website.
The svn repo is open to anyone who wants to request for the GPL yambo project

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/

atowfiq
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Location: Los Alamos National Laboratory

Re: Vxc changes when two component spinors are included

Post by atowfiq » Mon Oct 27, 2014 5:31 pm

Dear Davide,

Thanks for the instruction. I did follow the procedure to register for SVN according to Yambo Website. I requested for SVN access for Yambo project at the QE-force site, and was asked to wait for an approval email from Yambo developers.
I never received any email from Yambo site which might be caused by some possible error in the email address associated with my account? Or is it possible that you have a long que of request from
other users as well. In that case I'll just wait for my time to come. I just wanted to make sure with you.

Regards,

Towfiq
Towfiq Ahmed
Postdoctoral Fellow
Los Alamos National Laboratory

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Davide Sangalli
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Re: Vxc changes when two component spinors are included

Post by Davide Sangalli » Mon Oct 27, 2014 5:33 pm

Dear Towfiq,
I'll check and let you know as soon as possible.

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/

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Davide Sangalli
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Re: Vxc changes when two component spinors are included

Post by Davide Sangalli » Tue Oct 28, 2014 12:35 am

Dear Towfiq,
we verified and we do not have any pending request. Maybe you simply did not receive the email with the confirmation.

Try to download the source via the "svn co" command using your qe-forge username and password. If it does not work try again asking to join the project or reply to this message with your qe-forge username. We will activate it.

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/

atowfiq
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Location: Los Alamos National Laboratory

Re: Vxc changes when two component spinors are included

Post by atowfiq » Tue Oct 28, 2014 11:26 pm

Dear Davide,

Thank you so much for your help. I tried to "svn -co" without success. My qe-forge user id is "atowfiq". Appreciate your help.

Best,

Towfiq
Towfiq Ahmed
Postdoctoral Fellow
Los Alamos National Laboratory

atowfiq
Posts: 13
Joined: Tue Jun 03, 2014 12:15 am
Location: Los Alamos National Laboratory

Re: Vxc changes when two component spinors are included

Post by atowfiq » Wed Oct 29, 2014 6:47 pm

Dear Davide,

My access to SVN has not been resolved yet. I sent emails to qe-forge on this issue and also tried to make several attempts to "request to join the project" from yambo at qe-forge site. Can you please add "atowfiq" to the project developers list ?

Best regards,

Towfiq
Towfiq Ahmed
Postdoctoral Fellow
Los Alamos National Laboratory

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Davide Sangalli
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Re: Vxc changes when two component spinors are included

Post by Davide Sangalli » Wed Oct 29, 2014 7:19 pm

Deat Towfiq,
I sent your username to Andrea Marini, who is the one who gives the users access to the svn repository.
Today he is out of office, but I'm sure he will do that as soon as possible.

Sorry for the delay, but please consider that maintaining the yambo project, answering to the forum, and supporting the users is not our job.
We are a group of post-doc / researchers doing that in the spare time. We do our best.

Kind regards,
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/

atowfiq
Posts: 13
Joined: Tue Jun 03, 2014 12:15 am
Location: Los Alamos National Laboratory

Re: Vxc changes when two component spinors are included

Post by atowfiq » Wed Oct 29, 2014 7:28 pm

Dear Davide,

Thank you so much for your help. I totally understand from my personal experience since we are on the same boat more or less. It can be really overwhelming when the we( postdocs ) are overburdened with such administrative roles.
I had to play similar roles being the developer of FEFF (x-ray code) code, and still remember how difficult that was.

Anyways, I greatly appreciate your time and effort to help me with this.

Best Regards,

Towfiq
Towfiq Ahmed
Postdoctoral Fellow
Los Alamos National Laboratory

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Davide Sangalli
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Re: Vxc changes when two component spinors are included

Post by Davide Sangalli » Tue Nov 04, 2014 10:34 am

Dear Towfiq,
your username should have been activated some days ago. Let me know in case you still have problems.

Regards,
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/

atowfiq
Posts: 13
Joined: Tue Jun 03, 2014 12:15 am
Location: Los Alamos National Laboratory

Re: Vxc changes when two component spinors are included

Post by atowfiq » Sun Nov 09, 2014 4:26 am

Dear Davide,

Thank you so much for helping me with this. I downloaded the bug fixed version of yambo-3.4.1. It seems to be working great with SO and PBE pseudopotetials. The only issue for this version is that it failed to compile with netCDF. But for the time being, I'll be OK with the regular compiled version. But just wanted to report to you for your information.

Best regards,

Towfiq
Towfiq Ahmed
Postdoctoral Fellow
Los Alamos National Laboratory

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