YAMBO code for system with magnetic defect?

External optional components of Abinit (BigDFT, Wannier90...) and codes using/providing data from/to Abinit (AtomPAW, ONCVPSP, EXC, DP, Yambo...)

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tchanier
Posts: 12
Joined: Wed Dec 16, 2009 5:29 pm

YAMBO code for system with magnetic defect?

Post by tchanier » Thu Feb 04, 2010 12:55 am

Dear colleagues,

I want to study thee xcited states and optical properties of N-V center in diamond which carries a spin S=1 in the ground state. I would like to know if a spin-polarized calculation possible with the YAMBO code?

Thank you for your help,

Best regards,

Thomas Chanier

mverstra
Posts: 655
Joined: Wed Aug 19, 2009 12:01 pm

Re: YAMBO code for system with magnetic defect?

Post by mverstra » Thu Feb 11, 2010 8:46 pm

I believe this is possible, but you should be posting to the yambo forum to get a full answer. Also, it may be unavailable in the current GPL version.

Matthieu
Matthieu Verstraete
University of Liege, Belgium

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