half metal

Concerns any physical issues arising during the setup step (-i option). This includes problems with symmetries, k/q-point sets, and so on. For technical problems (running in parallel, etc), refer to the Technical forum.

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kazemoor
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Joined: Tue Jun 22, 2010 6:27 am

half metal

Post by kazemoor » Wed Dec 08, 2010 3:16 pm

Dear all
Can yambo do GW for half-metals(i.e magnetic material) (halfmetals is a material that in one chanel is metal and in other channel is semiconductor)?
I did spin-polarized calculation and when I want to convert the data to yambo by p2y it fails. Could anyone tell me that this error is because of technical mistake or in principle yambo cannot do spin polarization calculation?
Best
Ali kazempoor , Isfahan Univ of technology ,Iran

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Daniele Varsano
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Re: half metal

Post by Daniele Varsano » Wed Dec 08, 2010 3:32 pm

Dear Ali,

Yambo can do spin polarized calculation in principle, but unfortunately this option is quite new
and it is not released in the gpl version. At this moment I can't give you any prevision on when
this part of the code will be released.

Cheers,

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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claudio
Posts: 458
Joined: Tue Mar 31, 2009 11:33 pm
Location: Marseille
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Re: half metal

Post by claudio » Wed Feb 27, 2013 10:25 am

Dear Ali

a new version of Yambo that supports spin is now available, you can download it here:

http://www.qe-forge.org/gf/project/yambo/frs/

Claudio
Claudio Attaccalite
[CNRS/ Aix-Marseille Université/ CINaM laborarory / TSN department
Campus de Luminy – Case 913
13288 MARSEILLE Cedex 09
web site: http://www.attaccalite.com

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