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How to obtain wannier maximally localized functions from a simulation?


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  • From: ramon@juguete.quim.ucm.es
  • To: forum@abinit.org
  • Subject: How to obtain wannier maximally localized functions from a simulation?
  • Date: Sat, 29 Dec 2007 02:35:09 +0100

Hello. I want to obtain wannier maximally localized functions from a
simulation. What options do I have?

I see that the cut3d program does not have this functionality at present.
According the help of cut3d.

"3. (Not yet included) Maximally localized Wannier function from the WLOs."

The other option seems to be set prtwant output variable. Is this the right
way of doing it? Are there
any instructions? I looked in the mailing list archives, but I cound not find
anything.

Can you give any advice?

Thanks,


  • How to obtain wannier maximally localized functions from a simulation?, ramon, 12/29/2007

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