Dear Jiayu and Pwscf Users, It is our pleasure to inform you that a GW code is now implemented in the CVS version of Q.E. . This code (GWW) is based on the used of Wannier-like orbitals [see PRB 79, 201104(R) (2009) ] for evaluating the polarization propagator. It allows to address large systems (a few hundreds of atoms).
Examples for using the code can be found either in the examples/GWW_examples directory from the main QE directory, or on our webpage (still under construction...): http://gww.qe-forge.org/ For its installation: "./configure" and "make gww" will generate the GWW binaries. Regards, Joe and Paolo Jiayu Dai wrote: > Dear all, > > It's so exciting to see the new release of espresso-4.1, and a lot of new > parts in > the code. But i would like to know if it includes the parts of TDDFT and GW? > They > have been discussed a lot before, and expected to be done soon? > > By the way, if we want change something about the exchange-correction > functions in > the code, what's the step to do it? It should be a big job? > > Best wishes. > > Jiayu > > > > > ------------------------------ > ------------------------------------------- > Jiayu Dai > Department of Physics > National University of Defense Technology, > Changsha, 410073, P R China > ----------------------------------------- > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- -------------------------------------------------------------------- Geoffrey Stenuit Theory at Elettra Group CNR-INFM DEMOCRITOS National Simulation Center c/o Sincrotrone Trieste - SS14, Km 163,5 Basovizza, I-34012 TRIESTE email: stenuit at sissa.it tel: +39 040 375-8713 fax: -8776
