Dear quantum espresso and wannier90 users, 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?
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 <dappleby at ciw.edu> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140708/5e309524/attachment.html
