[QE-users] Calculating U parameter for Ni in LiNiO2 using hp.x

[Hongyi Zhao]

On Thu, Oct 22, 2020 at 6:23 PM Timrov Iurii <iurii.timrov at epfl.ch> wrote:
>
> > Is it possiable for me to iterate on the result of the first solution
> > to achieve more precise results?
>
> I do not understand your question.

Sorry for my unclear/erroneous/misleading description.

You said the following,

> The second solution is faster but maybe less accurate. The first solution is longer but more accurate.

So, it would be better if we can further refine the result obtained by
the second solution by some technical post-processing. This is just
what I mean.


> Please do not forget to add your affiliation.

In fact, the affiliation is automatically added as the signature. But
the very long quoted messages may make it more difficult to discover
it.

Regards,
-- 
Assoc. Prof. Hongyi Zhao <hongyi.zhao at gmail.com>
Theory and Simulation of Materials, Xingtai Polytechnic College
NO. 552 North Gangtie Road, Xingtai, China