[Pw_forum] vdW functional not implemented for spin polarized runs

Martin Gmitra martin.gmitra at gmail.com
Tue Dec 3 07:24:40 CET 2013

Dear q-e community,

I found the discussion about spin polarized calculations using vdW in
2011, see http://qe-forge.org/pipermail/pw_forum/2011-April/094794.html

Since then there has been a little movement in the literature e.g. PRL
103, 063004; PRB 85, 245430; arXiv:1310.4104.

My question goes therefore to semi-empirical dispersion term (DFT-D)
implemented in QE. What is your opinion to spin-polarized calculation
using the DFT-D?

Best regards,

Martin Gmitra
Uni Regensburg

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