[Pw_forum] MoS2 - reproducing papers

[Lorenzo Paulatto]

On Fri, 23 Apr 2010 14:10:03 +0200, mohsen modaresi  
<modaresi.mohsen at gmail.com> wrote:
> I am not sure, But i think you have not done "nscf" calculation before  
> your bond structure calculation.

A band (not bond) calculation and a ncsf calculation are almost exactly  
the same thing. In particular, they produce the same band structure.

regards

-- 
Lorenzo Paulatto

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