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RE: [abinit-forum] Resistivity calculations using GW


Chronological Thread 
  • From: "Haverty, Michael G" <michael.g.haverty@intel.com>
  • To: <forum@abinit.org>
  • Subject: RE: [abinit-forum] Resistivity calculations using GW
  • Date: Mon, 5 Feb 2007 17:31:24 -0800

Sorry, I should have done the search for "conductivity" instead of
"resistivity" and I would have found some references I was looking for.
:-)

Is there any documentation on the use of the conducti tool?

Also, is there a need to stick to the norm-conserving potentials for
conductivity calculations or could the "extended" norm conserving
potentials also be used?

Mike


-----Original Message-----
From: Haverty, Michael G [mailto:michael.g.haverty@intel.com]
Sent: Monday, February 05, 2007 5:19 PM
To: forum@abinit.org
Subject: [abinit-forum] Resistivity calculations using GW

Hi everyone,
Is Abinit capable of performing resistivity calculations for
transition metals using the GW portion of the code? I thought I
remembered a discussion of this topic last year and found discussion of
this future capability in Ab-init publications, but wasn't able to find
anything in the distribution?
Thanks for any pointers you can provide...
Mike




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