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- From: Manuel Pérez Jigato <Manuel.PerezJigato@fys.kuleuven.be>
- To: forum@abinit.org
- Subject: [abinit-forum] photoelasticity tensor
- Date: Fri, 20 Feb 2009 19:07:44 +0100
Dear all
i would like to ask whether the photoelasticity tensor is implemented within DFPT.
There is a paper by F Detraux and X Gonze (PRB 63 (2001) 115118) "Photoelasticity of alpha-quartz from first principles, but they seem to compute from DFPT the dielectric tensor at different strains, and then use finite differences.
In Veithen et al (PRB 71 (2005) 125107) they talk about the elasto-optic tensor
from DFPT. That seems to be the same thing that the photoelasticity tensor.
Could you please confirm?
and finally, is it available for PAW and LDA+U? (just to avoid the finite difference + scissor operator approach)
regards
Manuel Perez Jigato
KU Leuven
Disclaimer: http://www.kuleuven.be/cwis/email_disclaimer.htm
- [abinit-forum] photoelasticity tensor, Manuel Pérez Jigato, 02/20/2009
- Re: [abinit-forum] photoelasticity tensor, Xavier Gonze, 02/20/2009
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