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Re: Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results
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- From: <or_pong@hotmail.com>
- To: forum@abinit.org, matthieu.jean.verstraete@gmail.com
- Subject: Re: Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results
- Date: Tue, 16 Jun 2009 11:14:36 +0200 (CEST)
In order to test my comprehension, eigen value problem of dynamical matrix
(from ABINIT output) had been solved using both Octave and Mathcad 14. My
octave command had been shown.
[U,e]= eig(Dyn);
eival = sqrt(e);
Where Dyn is dynamical matrix.
Octave eigen values of silicon crystal at q = 0 0 0 are
0, 0, 0, 0.282, 0.282, 0.282.
Phonon energies in Hartree :
0.000000E+00 0.000000E+00 0.000000E+00 2.345206E-03 2.345206E-03
2.35E-03
Octave results had been compared with Phonon energies in Hartree (same
ABINIT output) value by value. From the comparisions, I can write a relation
between any couple.
eival_octave / phonon energy = 226.26
Please give me any suggestion about unit of Octave results.
Thank you very much,
- [abinit-forum] Seeking some textbooks or pepers to check displacement vector results, or_pong, 06/08/2009
- Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results, matthieu verstraete, 06/10/2009
- Re: Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results, or_pong, 06/16/2009
- Re: Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results, matthieu verstraete, 06/16/2009
- Re: Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results, or_pong, 06/16/2009
- Re: [abinit-forum] Seeking some textbooks or pepers to check displacement vector results, matthieu verstraete, 06/10/2009
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