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Re: [abinit-forum] Third derivative of the energy?

From: Silvio a Beccara <s.abeccara@gmail.com>
To: forum@abinit.org
Subject: Re: [abinit-forum] Third derivative of the energy?
Date: Wed, 7 Oct 2009 15:00:45 +0200
Organization: Universita` di Trento

Dear prof. Verstraete,

thank you very much.

Kind regards

Silvio a Beccara

> none of the perturbation theories are implemented in wavelets (yet).
> For the third derivatives with norm conserving PSP, they are
> implemented for the following:
> * 3 derivatives wrt E field
> * 2 wrt E field and one atomic position
> See the tutorials on response function calculations of Raman spectra
> http://www.abinit.org/documentation/helpfiles/for-v5.8/tutorial/lesson_nlo.
>html
>
> Matthieu

[abinit-forum] Third derivative of the energy?, Silvio a Beccara, 10/07/2009
- Re: [abinit-forum] Third derivative of the energy?, matthieu verstraete, 10/07/2009
  - Re: [abinit-forum] Third derivative of the energy?, Silvio a Beccara, 10/07/2009
    - Re: [abinit-forum] Third derivative of the energy?, Thierry Deutsch, 10/07/2009