[Pw_forum] band calculation:chosing a specific band

Parwana HABIBI parwana.habibi at cea.fr
Mon May 3 09:06:04 CEST 2010


Dear all,

I have a question about band calculation. I would like to calculate a 
band structure for my system, which I can do. There is a surface state, 
and I would like to study this particular state within the band 
structure. Therefore, I need to chose the specific band concerning the 
surface state. In PWSCF input file, there is only 'nbnd' tag that marks 
the nuber of bands I want to calculate.
How can I chose that band among the number of bands I'm calculating? I.E 
among the nbnd number of bands, how can I only plot my concerned band?

Thanks,

Parwana Habibi
Ph.D student
CEA-Saclay, DSM/IRAMIS/SPCSI/LNOSC
France.


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