[Pw_forum] Hubbarb coefficients

[Pang Rui]

http://hjklol.mit.edu/content/calculating-hubbard-u
I have some problems to excute the fortran code in the material of
Mr.Cococcioni, and reading the code takes a lot of effort. Until now I do
not quite understand how he obtained a supercell result without calculating
the supercell.
The above tutorial used python to deal the data, it is easier to read. The
drawback is that you may do the supercell calculation to get the accurate
one.
Both codes may not be used to directly calculate the results in the latest
version because the format of the output changed. You have to read the
codes and modified them.
Hope this can be helpful to you.
On Wed, 14 May 2014 18:37:26 +0200, Tommaso Francese
<neutrinofrancese at gmail.com> 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
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum