[Wannier] problem about frozen energy window

[Nicola Marzari]

On 01/10/2015 10:43, 杨晟祺 wrote:
> Hi,
>    I am a new user of wannier90. These days I am trying to construct a TB model with the assistance of wannier90. I already get the fermi energy and correct energy band from VASP, and now want to get the Hamiltonian matrix from wannier90. However, the energy band within frozen energy window given out by wannier90 is very different from the energy band I get from VASP, which should be impossible according to the user guide.
>    Is there any way to solve this problem?? What is the cause of this contradictory result??


The cause is that you made an error, somewhere, sometime.
The solution is to do some more work.

Since you are a new user, try to make sure you follow the tutorials,
try out some small changes, and understand the theory and the practice
of disentangling
Wannier functions.

Then (it'll take a few weeks), if things still do not work, post
again, with inputs, outputs, examples, etc...

			nicola

-- 
----------------------------------------------------------------------
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project