[Wannier] How to make the wannierzation converge?

[Rui Pang]

Dear all
I am a new user to wannier90. 
To learn how to use this code, I add some modifications on example10, the graphite. I found that if the number of wannier functions is increased into all valence electrons, the calculation is diffcult to get convergence. I adjust dis_froz_max, trial_step,  and cancle the distenglement, all of them cannot work. 
My question is how should I understand this? As I see some replies always attribute the convergence problems to the inccorect chosing of dis_froz_max and projection states. But it is clear that here the projection states is nothing wrong. And it seems that nothing need to be changed according to the priciple of distenglement. So how to understand this behavior and how to fix the related parameters to make the calculation converge?
As it is an example released with wannier90,  I think it is not necessary for me to attach my input file and other supplementary files.
Thanks for your reply.


Pang Rui




--

Pang Rui, Lectureer
School of physics and engneering
Zhengzhou University
China
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/wannier/attachments/20161125/0bf3ca5e/attachment.html>