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. Federico IORI Marie Curie Fellow Laboratoire de Physique des Solides Bâtiment 510 - Rue André Rivière 91400 Orsay ----- Mensaje original ----- 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 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
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