Dear All, i want to do GW calculations on a large system containing 120 ions.
i would say i can try to run it with the scheme proposed by P. Umari, G. Stenuit and S. Baroni, *Optimal representation of the polarization propagator for large-scale GW calculations*, Phys. Rev. B *79* (2009) 201104(R). do you have some experience about it? i hope a such calculation can be dealt with this scheme. is it available the GW scheme mentioned above in some version of Quantum Espresso? i have found at the website: http://gww.qe-forge.org/index.php?page=intro a good description about how to use it. is it available with 4.2.1 version? i thank you in advance. cheers, Gianluca Giovannetti -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100717/20301fad/attachment.htm
