[Pw_forum] Shirley interpolation

Huiqun Zhou hqzhou at nju.edu.cn
Wed Apr 20 05:00:53 CEST 2011


It's provided only internally to the "Molecular Foundry" users, I think.


zhou huiqun
@earth sciences, nanjing university, china

  ----- Original Message ----- 
  From: Mingxing Chen 
  To: pw_forum at pwscf.org 
  Sent: Tuesday, April 19, 2011 2:34 PM
  Subject: [Pw_forum] Shirley interpolation


  Dear all,

  As stated in PRB 80, 235126 (2009) by David Prendergast, the Shirley's interpolation scheme has been implemented as a post processing tool in QE. However, I did not find it in the latest version of QE, i.e., Version 4.3. Does anyone know that? Any suggestion would be appreciated. Thanks a lot.

  Best regards,

  Mingxing Chen

  -- 

Mingxing Chen,Institute for Physical ChemistryUniversity of ViennaEmail: mxchen.2011 at gmail.com




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