[Pw_forum] GW for large systems

Gianluca Giovannetti gianluca.giovannetti at gmail.com
Sat Jul 17 07:27:16 CEST 2010


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
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