[Pw_forum] Hot can I calculate band structure using PBE0

[Giuseppe Mattioli]

Dear Abdullah
Well, actually you can't, as stated by the error message... Please read

your-path-to-QE/Examples/PW/EXX_example/README

HTH
Giuseppe

On Tuesday, November 08, 2016 10:51:26 AM Abdullah N. Albarakati wrote:
> Dear Expert,
> 
> I want to calculate band structure using PBE0, I have run scf calculation with uniform k-point generation, then I have run pw.x with
> "calculation=bands" , but I got the following response
> 
> *******************************************************
>      Atomic positions and unit cell read from directory:
>      ./ZovZu.save/
> 
> 
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
>      Error in routine setup (1):
>      HYBRID XC not allowed in non-scf calculations
>  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
> 
>      stopping ...
> 
> ************************************************************
> 
> Thank you in advance,
> 
> Abdullah
> 
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   Giuseppe Mattioli                            
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