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Re: [abinit-forum] Irreps of phonons (get_irreps.py)

From: Latévi Max LAWSON DAKU <max.lawson@unige.ch>
To: forum@abinit.org
Subject: Re: [abinit-forum] Irreps of phonons (get_irreps.py)
Date: Wed, 05 Apr 2006 11:53:39 +0200

Hello Matthieu,

The symmetries of the three highest vibrational modes
are known:

E(A1g) > E(Eg) > E(T1u) > ...

I hope this can help you in debugging your script.

All the best,
Max

Matthieu Verstraete wrote:
>
>
> Hmm, you're absolutely right. The difference is the sign change for
> 4-axes and some 2-axes+mirrors. We'll see tomorrow.
>
> Matthieu
>

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Latevi Max LAWSON DAKU
Departement de chimie physique
Universite de Geneve - Sciences II
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Tel: (41) 22/379 6548 ++ Fax: (41) 22/379 6103
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Re: [abinit-forum] Irreps of phonons (get_irreps.py), Matthieu Verstraete, 04/03/2006
- Re: [abinit-forum] Irreps of phonons (get_irreps.py), Matthieu Verstraete, 04/04/2006
  - Re: [abinit-forum] Irreps of phonons (get_irreps.py), Latévi Max LAWSON DAKU, 04/04/2006
    - Re: [abinit-forum] Irreps of phonons (get_irreps.py), Matthieu Verstraete, 04/04/2006
      - Re: [abinit-forum] Irreps of phonons (get_irreps.py), Latévi Max LAWSON DAKU, 04/05/2006