[Pw_forum] band jagged

[Nicola Marzari]

shudong wang wrote:
> Dear developers;
> I used v4.2 to calculate band structures of graphene,but the 
> structures have a jagged behaviour in high energy region. Why it is ?
>  
> Thanks!
>  
> S D Wang
>  
> Southeast University ,Nanjing,China

Hi,


can you try redoing the calculation using option "atomic+random" as a 
start point
for the wavefunction, and report back to us (do you still get the jagged 
behavior, or not).

Thanks,

             nicola

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