dielectric response

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dielectric response

Postby marco.govoni » Thu Dec 17, 2009 4:46 pm

Dear yambo team,

For our scopes we have to use the inverse dielectric function as reported in eq. 6 of ref. Computer Physics Communications 8 180 2009.
We would like to know where to find this in the YAMBO code. We are using the 3.2.1-r.448 version.

Thanks a lot.

Marco Govoni and Ivan Marri
Marco Govoni
Physics Department, University of Modena and Reggio Emilia (Italy)
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Re: dielectric response

Postby Daniele Varsano » Thu Dec 17, 2009 6:33 pm

In pol/function/X_s.F the Dyson Equation for /chi is solved

then in pol_function/O_driver.F the epsilon is constructed, but only for
the head, that's what you need for the absorption for instance.

Looking at these two subroutine you can easily construc your full dilectric matrix.


Cheers,

Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Re: dielectric response

Postby andrea marini » Thu Dec 17, 2009 9:20 pm

Equivalently you can use X_em1.F where the inverse dielectric function is calculated ans written on disk.
Andrea MARINI
Istituto di Struttura della Materia, CNR, (Italy)
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