[Pw_forum] Question about InAs

Saeedeh S Ravandi sxr109320 at utdallas.edu
Tue Aug 28 21:53:20 CEST 2012


Hi , 

I am trying to see InAs band structure Hybride fucntions:
What I have done is using these pseudos; In.pbe-d-rrkjus.UPF and As.pbe-n-van.UPF and have automatic 24x24x24 k-points in my scf calculation and try to see band structure , what I found is not resealable. Do you have any idea , how I can PEB0 oe B3LYP in my calculations ??




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Best Regards,
Saeedeh Ravandi



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