[Pw_forum] tight-binding parameters

Nossa, Javier jnossa at carnegiescience.edu
Wed Jul 9 05:47:42 CEST 2014


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>
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