[Wien] HF error

[tran at theochem.tuwien.ac.at]

Is the file CuBr2C6H7N2hy.corewf empty? If yes, then it probably means
that the value of the "IPRINT" in CuBr2C6H7N2hy.inc are 0 instead of 1
(see user's guide). CuBr2C6H7N2hy.corewf is the file which contains
the core orbitals.

Be careful that hybrid functionals are several orders of magnitude more
expensive than LDA/GGA.

F. Tran

On Mon, 29 Feb 2016, rahnama at hsu.ac.ir wrote:

> Dear Wien2k users:
> 
>  For Hybrid functional (HF) calculations, I have faced with this error:
> 
>  
> 
> LAPW0 END
> 
> LAPW0 END
> 
> LAPW1 END
> 
> LAPW2 END
> 
> CORE    END
> 
> Forrtl: severe (64): input conversion error, unit 29, file /home/CuBr2C6H7N2hy/CuBr2C6H7N2hy.corewf
> 
> Image                    PC            Routine           Line              Source
> 
> hf                           0000000  Unknown      Unknown        Unknown
> 
> …
> 
>  
> 
>  
> 
> Please let me know, how to solve this problem?
> 
> Regards,
> 
> Rahnama
> 
> 
>