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- From: Jeremy Tan <yuppyjer@yahoo.com>
- To: forum@abinit.org
- Subject: Questions on polarisation calculation via Berry's phase
- Date: Thu, 20 May 2004 23:16:18 -0700 (PDT)
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
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
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- Questions on polarisation calculation via Berry's phase, Jeremy Tan, 05/21/2004
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