Segmentation fault in band interpolation wtih spin-orbit

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Segmentation fault in band interpolation wtih spin-orbit

Postby claudio » Wed Nov 22, 2017 11:26 am

Dear developers

I report a segmentation fault in bands interpolation due to the spin-orbit.
The bug originates from the subroutine

ypp/electrons/electrons_spin_and_magn_interpolate.F

in attachment input files to reproduce the bug

regards
Claudio
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Claudio Attaccalite
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info
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Re: Segmentation fault in band interpolation wtih spin-orbi

Postby Davide Sangalli » Fri Nov 24, 2017 2:59 pm

Dear Claudio,
here the fix for yambo >= 4.2.
Just replace the original file in ypp/electrons with the one attached (removing the .txt extension)
It will be also released soon.

Best,
D.
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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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Re: Segmentation fault in band interpolation wtih spin-orbi

Postby claudio » Fri Nov 24, 2017 3:14 pm

Grazie
Claudio Attaccalite
Institut Neel, CNRS/UJF ABINEEL group
25 rue des Martyrs BP 166, B√Ętiment D
38042 Grenoble cedex 9 France
web site: http://www.attaccalite.com
Freely download scientific books from: http://www.freescience.info
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claudio
 
Posts: 218
Joined: Tue Mar 31, 2009 11:33 pm

Re: Segmentation fault in band interpolation wtih spin-orbi

Postby Davide Sangalli » Fri Dec 01, 2017 9:40 am

Dear Claudio,
the fix is now included in version 4.2.1

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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Location: Via Salaria Km 29.3, CP 10, 00016, Monterotondo Stazione, Italy


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