[Pw_forum] band gap from hybrid pseudopotentials

MSaqlain saqlain at bilkent.edu.tr
Sat Aug 6 23:41:12 CEST 2016


Dear Paulatto

thanks for your response. What would say about this?

If the the system is relaxed with paw/us peusodos, Is it fair enough to 
use NC pseudos with hybrid scheme for obtaining band gap? (performing 
scf on ptimized configuration with paw/us pseudo)


On 08/07/2016 01:28 AM, Lorenzo Paulatto wrote:
> Can you please trough some light on this issue? If the the system is 
> relaxed with paw/us peusodos, Is it fair enough to use NC pseudos with 
> hybrid scheme for obtaining band gap? 




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