Small bug in the Electron Phonon Coupling Tutorial/Code

Concerns issues with computing quasiparticle corrections to the DFT eigenvalues - i.e., the self-energy within the GW approximation (-g n), or considering the Hartree-Fock exchange only (-x)

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

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elena.cannuccia
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Joined: Tue Oct 11, 2016 10:58 am

Small bug in the Electron Phonon Coupling Tutorial/Code

Post by elena.cannuccia » Tue Oct 11, 2016 11:50 am

Dear all,

I am currently running the electron-phonon coupling tutorial with the 4.0.4 gpl version.
I noticed that the #OnMassShell flag doesn't show up when typing yambo_ph -g n -c p -V qp .

I went through the source code and saw that this flag is missing in src/interface/init_load.F.

I report you this bug for the next gpl version,

Regards

Elena

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Daniele Varsano
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Re: Small bug in the Electron Phonon Coupling Tutorial/Code

Post by Daniele Varsano » Tue Oct 11, 2016 11:52 am

Hi Elena,
thank you very much for noticing and posting!

Best,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

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Davide Sangalli
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Re: Small bug in the Electron Phonon Coupling Tutorial/Code

Post by Davide Sangalli » Fri Oct 28, 2016 6:19 pm

Ciao Elena,
we just released version 4.1.1
Can you check if it works now ?

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/

elena.cannuccia
Posts: 24
Joined: Tue Oct 11, 2016 10:58 am

Re: Small bug in the Electron Phonon Coupling Tutorial/Code

Post by elena.cannuccia » Thu Nov 24, 2016 1:09 pm

Hi Davide,

sorry for the late answer, I didn't get any notification about this thread. I have just read your reply.

Yes now it works, thanks!

Elena

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