[CP2K-user] [CP2K:17264] query regarding pdos plot of graphene

[Anjali ganai]

Dear All,
I have been following this tutorial for pdos calculation of graphene 
https://www.cp2k.org/exercises:2016_uzh_cmest:calculating_pdos
There' are a few questions asked at the end of this page. Can someone 
explain me the answer to those. The questions are
1. Do you see why it is necessary to do the unit cell replication? Hints: 
does graphene have a band gap? Compare the plots for 3x3x1 and 5x5x1
2. Do you now understand why we need smearing?
 I have attached the pdos plots for multiple supercell 3-3-1, 5-5-1 and 
7-7-1.

Thanks in advance
Regards,
Anjali

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