Please help me to clarify the mentioned points

Dominik Gresch greschd at phys.ethz.ch
Thu Dec 28 01:15:46 CET 2017


Dear Mr. Rehman,


If you are unfamiliar with how Z2 invariants can be calculated using the 
hybrid Wannier function approach, I would suggest you read the following 
references:

- https://journals.aps.org/prb/abstract/10.1103/PhysRevB.83.235401 arxiv 
version: https://arxiv.org/abs/1102.5600

- https://journals.aps.org/prb/abstract/10.1103/PhysRevB.95.075146 arxiv 
version: https://arxiv.org/abs/1610.08983


If you need technical help with running Z2Pack with VASP, you can find 
guidance in the tutorial 
http://z2pack.ethz.ch/doc/2.1/tutorial/index.html and examples 
http://z2pack.ethz.ch/doc/2.1/examples/vasp.html sections of the Z2Pack 
documentation.


I would be happy to answer specific questions that you might have in 
reading these documents.


Best regards,

Dominik Gresch


On 27.12.2017 15:53, Majeed Ur Rehman wrote:
>
> Respected Sir/Madam
>
> I am Mr.Majeed Ur Rehman from Pakistan. I am Master student with very 
> less background in VASP. Currently, i am learning vasp tools. These 
> days i am interested to learn how one can calculate a Berry curvature 
> and Z2 topological index using vasp, wannier90.  Let me mention that 
> wannier90 and Z2 pack are already interfaced with the VASP on our 
> cluster. But the problem is to how can I use it to calculate Berry 
> curvature and Z2 topological index. For this, I need some 
> guideline from an expert like you, because no expert is available here 
> with me to guide.
>
> Your help would be highly appreciated. I know you would be too much 
> busy sir but your help would be like an oxygen for me to survive at 
> this initial and difficult stage of my learning.
>
> Thank You and looking forward for your nice response.
>
>
>
>
> Best Regards
> *Majeed-Ur-Rehman*

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