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Calculations using berry's phase


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  • From: yuppyjer@yahoo.com
  • To: forum@abinit.org
  • Subject: Calculations using berry's phase
  • Date: Fri, 21 May 2004 10:17:08 +0200

Hi,

May I know if any of you had tried calculation of polarisation via
Berry's phase, say on generic materials such as BaTiO3 or PbTiO3? If
yes,
may I know which set of pseudopotentials are more appropriate for
Berry's phase calculations.

Rgds
Teck Leong


  • Calculations using berry's phase, yuppyjer, 05/21/2004

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