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Third-Order Derivatives

From: brown05@auburn.edu
To: forum@abinit.org
Subject: Third-Order Derivatives
Date: Thu, 26 Aug 2004 21:11:50 +0200

Is ABINIT able to do third order derivative calculations for phonons by using
the input variables rf1phon, rf1atpol, and rf1dir? When I try to test the
calculation on Si in the diamond structure at the gamma point for both the
phonon datasets, the code finishes, but the third-derivative matrix it
outputs is empty. Am I missing something obvious?

Thanks,
Chris Brown

Third-Order Derivatives, brown05, 08/26/2004
- Re: [abinit-forum] Third-Order Derivatives, Marek Veithen, 08/27/2004
- Re: [abinit-forum] Third-Order Derivatives, verstraete, 08/27/2004