[Wien] DMFT

delamora delamora at unam.mx
Mon Oct 13 14:46:21 CEST 2014


Dear Elias,

Thank you for your prompt reply,
I was confused because, in the 
        Introduction to optical properties with WIEN2k in the independent particle approximation 
                (E. Assmann)) 
 
In the
        wien2wannier Features

you put the lines
ˆ         includes self-energy
            Sum(ω) (DMFT)

    I knew that TRIQS had DMFT, but it is not as easy to install.

                Pablo
________________________________________
De: wien-bounces at zeus.theochem.tuwien.ac.at <wien-bounces at zeus.theochem.tuwien.ac.at> en nombre de Elias Assmann <elias.assmann at gmail.com>
Enviado: lunes, 13 de octubre de 2014 03:23 a.m.
Para: A Mailing list for WIEN2k users
Asunto: Re: [Wien] DMFT

Hi Pablo,

On 10/13/2014 03:55 AM, delamora wrote:
>          I want to include the DMFT into the calculations and apparently wannier90 does this type of calculations, but I cannot see how to do them. The wannier90 user-guide does not even mention DMFT.
>          Is there a guide for these type of calculations?

Wannier90 does not do DMFT; to use the MLWFs from Wannier90 as a basis
for DMFT is one of the many applications you might use MLWFs for.

In the interest of completeness, I will just mention two DMFT
implementations that are often used with Wien2k:

TRIQS, and its Wien2k interface Wien2TRIQS
<http://ipht.cea.fr/triqs/1.1/applications/dft_tools/index.html>; and

w2dynamics,
<http://www.physik.uni-wuerzburg.de/en/institute_einrichtungen/department_of_theoretical_physics_and_astrophysics/theoretische_physik_i/tp_i/mitarbeiter/prof_dr_giorgio_sangiovanni/>

        Elias

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