magnetic calculation

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)

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samaneh
Posts: 165
Joined: Tue Jan 21, 2014 9:03 am

magnetic calculation

Post by samaneh » Sun Nov 16, 2014 7:35 am

Dear Developers,
Can we perform GW calculations
for a magnetic system (nspin=2 in espresso)
with yambo?
Best
S. Ataei, University of Tehran, Iran
S. Ataei, PhD student at University of Tehran, Iran.

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Davide Sangalli
Posts: 640
Joined: Tue May 29, 2012 4:49 pm
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Re: magnetic calculation

Post by Davide Sangalli » Sun Nov 16, 2014 10:23 am

Dear Ataei,
yes. Yambo can deal both with the case of collinear spin (nspin=2 in pw.x) and non collinear spin.

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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