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- From: "Javier Lopez" <sklnw@hotmail.com>
- To: forum@abinit.org
- Subject: Hessian units?
- Date: Wed, 19 Feb 2003 19:48:34 +0000
Dear ABINIT users,
In the log file of some relaxation processes (ionmov not 0),
the inverse hessian is written at the end of the log file. I think I understand the way it is written (first all the atomic coordinates, then the strain components) but I'm not sure about the units.
Are fractional coordinates used or rather cartesian coordinates?
(I have in mind extracting information about some gamma-point
frequencies from this matrix).
Can someone give me more information?
Thanks in advance!
Javier Lopez
Departamento de Fisica Fundamental II
Universidad de La Laguna
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- Hessian units?, Javier Lopez, 02/19/2003
- Re: [abinit-forum] Hessian units?, Xavier Gonze, 02/19/2003
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