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- From: James Raynolds <JRaynolds@uamail.albany.edu>
- To: "'forum@abinit.org'" <forum@abinit.org>
- Subject: Spin-orbit and magnetism
- Date: Tue, 14 Sep 2004 08:32:44 -0400
To all,
I need to get a spin-projected density of states for a magnetic system
including spin-orbit. With spin-orbit one is forced to use spinor
wavefunctions (nspinor=2) which mix the spin-up and spin-down components.
In a magnetic system, however, it is still resonable to compute the
expectation value of the spin operator to get a spin-projected density of
states.
Is this possible in abinit as it stands or do I need to write some code of
my own to get it?
Thanks for any help anyone can give me.
Sincerely,
Jim Raynolds
- Spin-orbit and magnetism, James Raynolds, 09/14/2004
- Re: [abinit-forum] Spin-orbit and magnetism, verstraete, 09/16/2004
- Re: [abinit-forum] Spin-orbit and magnetism, Xavier Gonze, 09/16/2004
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