[Pw_forum] Hubbarb coefficients
Giuseppe Mattioli
giuseppe.mattioli at ism.cnr.it
Wed May 14 18:55:59 CEST 2014
Dear Tommaso
Matteo Cococcioni's lessons and "hands on" at the 2009 QE school could be what you're looking for.
HTH
Giuseppe
http://media.quantum-espresso.org/santa_barbara_2009_07/
On Wednesday 14 May 2014 18:37:26 Tommaso Francese wrote:
> Dear all QE users,
> even if the question it might be a little bit trivial, can anybody
> describe, step by step, how to extrapolate the Hubbard coefficients, for
> example a cubic structure of ZrO2, with richness of details and defining
> every parameter set? I haven't find a good description in the forum, nope
> in internet, so this is the reason i ask you to help me. Thanks in
> advance,
> Tommaso Francese
> Università Cà Foscari di Venezia
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Giuseppe Mattioli
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