[Pw_forum] Regarding band structure calculation using hybrid functionals

Piyush Kumar piyushkr1990 at gmail.com
Wed Jun 17 12:04:38 CEST 2015


Dear All,
 I am trying to calculate band structure of phosphorene using hybrid
functional (hse). But I am getting the error  "hybrid XC not allowed in
non-scf calculations".
 Is there any way to calculate band structure using hybrid functionals?

Piyush Kumar
M. Tech. Student
IIT Kanpur, India
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