[Pw_forum] MoS2 - reproducing papers

[Ngoc Linh Nguyen]

Vit wrote:
> Dear, all!
> I'm trying to reproduce MoS2 band structure from [1], but it seems to 
> be really different!
> I've double checked all the input, but nothing helps. Could you please 
> point me where am I wrong?
> Band file, reference band structure and my computations are attached.
By visualizing configuration, I find that your input file has a 
"strange" structure of MoS2.
I search on google and find that the MoS2 structure is analogous 
graphene structure,
see in http://www.tribology-abc.com/abc/solidlub.htm , but your model is 
not the same at al. It for sure induces a different band structure.

Try checking it again .

Good luck,

Linh
> With best regards, 
> Koroteev Victor
> PhD student,
> NIIC SB RAS
>
>
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