On Tue, 2014-07-08 at 23:47 -0400, Nossa, Javier wrote:
> I would like to extract the on-site and overlap tight-binding > parameters for a BaTiO3 perovskite. Could you please let me know where > can I find a tutorial or guide to do so? I never used it, but I am aware of the existence of a "wannier_ham.x" code that should do that: see PP/examples/WannierHam_example P. > > Thanks. > > > -- > With best regards, > Javier Francisco Nossa > > > Postdoc at Geophysical Laboratory > Carnegie Institution of Washington > 5251 Broad Branch Road, N.W. > Washington, DC 20015-1305 > Tel.: 1.240.476.3993 > E-mail: jnossa at carnegiescience.edu > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum
