Hi,
there is also BerkeleyGW which also works with QE:
http://www.berkeleygw.org/
It's like YAMBO (GW+BSE is possible) but (at least in the past) you
couldn't calculate systems with SOC in which you need to have spinors.
Same problem as with YAMBO - norm conserving pseudos only...
Regards
Thomas
On 02/08/2017 07:06 PM, Federico Iori wrote:
Hi, HTH
1)
You can try YAMBO directly integrated into the QE suite
http://www.yambo-code.org/
it is suited for quasiparticle GW electronic structure and optics
calculation (RPA - linear response TDDFT and Bethe-Salpeter equation
including excitionic effects)
Moreover you have several flavors in the above calculation that you
can add and check as it is reported in the manual (spin polarization
in the BSE for example)
There are plenty of examples and tutorial, and tips also in the
dedicated forum.
Remember that at the moment, if things are not changed, Yambo is
working with Norm Conserving pseudopotential only.
2)
Otherwise there is the GW Wannier code (it should be only for GW
electronic structure calculations)
http://www.gwl-code.org/
and also this one is in the QE package.
3) http://west-code.org/
have a look and check maybe with the developers, if now is working not
only at the Gamma Kpt only.
4) The Sax project
http://www.sax-project.org/
(GW calculations)
If I forgot something, please, developers forgive me.
Université Paris-Sud
*Federico IORI*
Marie Curie Fellow
Laboratoire de Physique des Solides
Bâtiment 510 - Rue André Rivière
91400 Orsay
------------------------------------------------------------------------
*De: *"Kanak Datta" <[email protected]>
*Para: *"pw forum" <[email protected]>
*Enviados: *Miércoles, 8 de Febrero 2017 18:52:26
*Asunto: *[Pw_forum] Optical properties and quasiparticle energy
calculation
Dear researchers
As a part of my research, I need to calculate the optical absorption
spectrum and quasiparticle energy characteristics of monolayer and
multilayer Transition Metal Dichalcogenide materials. I have seen
literature referring to Berkeley GW package that can be integrated
with Quantum Espresso for quasiparticle calculation. Are there other
packages that can be used for this task?
I know this post isn't completely in line with Quantum Espresso and
it's feature, so I beg your pardon for any inconvenience.
Thanks
Kanak Datta
Graduate Student
Electrical Engineering and Computer Science
University of Michigan, Ann Arbor
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--
Dr. rer. nat. Thomas Brumme
Max Planck Institute for the Structure and Dynamics of Matter
Luruper Chaussee 149
22761 Hamburg
Tel: +49 (0)40 8998 6557
email: [email protected]
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