[Wien] B3LYP calculation

[Santanu Pathak]

I am trying a B3LYP calculation.
I have followed steps as given in manual (p 52 of manual at 2018).
1. XC_B3LYP in case.in0
2. EX_SLDA and VX_SLDA in case.in0_grr
3. selected unscreened and alpha 0.2 in case.inhf
and then running command     run_lapw -hf

But error is coming as follow. What's the solution?

 LAPW0 END
 LAPW0 END

*cp: cannot stat âTadop_neut_relax_PBE_K100.kgen_ibzâ: No such file or
directorycp: cannot stat âTadop_neut_relax_PBE_K100.klist_ibzâ: No such
file or directory*
 LAPW1 END
 LAPW2 END
 CORE  END
OPEN FAILED
>   stop error

*Best Regards,*

*Santanu Pathak*
*Senior Research Fellow*
*Variable Energy Cyclotron Centre*

*1/AF Bidhan Nagar, Kolkata-700064, India*
*Phone no.: 033-2318-4167 / **09163419475*




[image: Mailtrack]
<https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&>
Sender
notified by
Mailtrack
<https://mailtrack.io?utm_source=gmail&utm_medium=signature&utm_campaign=signaturevirality5&>
11/15/19,
12:45:07 AM
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20191115/cfaf0e84/attachment.html>