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[abinit-forum] meaning of eigen value matrix in _1WF7 file


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  • From: <selva.nair@gmail.com>
  • To: forum@abinit.org
  • Subject: [abinit-forum] meaning of eigen value matrix in _1WF7 file
  • Date: Tue, 8 Jul 2008 10:49:20 +0200

Hello developers,

I am trying to extract off-diagonal matrix elements of position operator (or a
related
operator such as d/dk or dH/dk) between ground state wavefunctions from
Abinit.
If
I understand it correctly, the "first order eigen value matrix" in _1WF7,8,9
files generated
by a ddk perturbation run would contain this information but I am unable to
find the
precise meaning of these "eigen values".

In a ddk perturbation run what exactly is the perturbation? Is it dH/dk? Are
the eigen
value matrix elements in _1WF7,8,9 that of dH/dk between the zeroth order
wavefunctions?

Also is any one working on ddk and electric field perturbations with
spin-orbit
interaction?

Thanks,

Selva


  • [abinit-forum] meaning of eigen value matrix in _1WF7 file, selva.nair, 07/08/2008

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