On Mon, May 31, 2010 at 6:34 PM, Goranka Bilalbegovic < gbilalbegovic at gmail.com> wrote:
> > > On Mon, May 31, 2010 at 6:00 PM, shudong wang <sd.wang000 at gmail.com>wrote: > >> >> I kown the V4.2 pwscf can have performed GW calculation. Does it can deal >> with various system?For example, cluster, molecule, or quantum dot and >> extended system like periodic solids? >> >> > Dear SDWang, > > The answer is yes for all your questions above. You may find very useful: > http://gww.qe-forge.org/index.php?page=intro > Examples (for benzene molecule and Si bulk) are on: > http://gww.qe-forge.org/index.php?page=tutorial > > > In addition, there is a "GWW_examples" directory in "examples": http://qe-forge.org/frs/download.php/95/espresso-4.2-examples.tar.gz There you may find: example01 computes the GW quasi-particle energies in C6H6 (Benzene molecule) example02 computes the GW quasi-particle energies in bulk Si (extended system) example03 computes the orbital decomposition of the total GWW density of states in C6H6 (Benzene molecule) -- Goranka Bilalbegovic, Department of Physics, Faculty of Science, University of Zagreb, Croatia -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100531/05c3e704/attachment.htm
