[Wien] Error in Hub-U calculation

[William Lafargue-dit-Hauret]

Hi,

I noticed in your dayfile your filenames and directory name are 
inconsistent.

----------

case.dayfile is ;

Calculating *U3O8-8.5-5000* in /scratch/WIEN2k17/*UB-8.5-5000*
on gra144 with PID 28448

...

----------

William


Le 26/06/2018 à 21:29, shaymlal dayananda a écrit :
> Dear Prof. Blaha
>
> Thank you for your reply, I tried your instructions, but I am afraid that I am
> still getting the same error.
> This is what I did1. I copied case.energyup/dn as case.energyup_1/dn_12 copied
> case.dmatup_old and case.dmatup_old to case.dmatup and case.dmatup3. removed
> *.bro*  ( But there were no files)
> And rerun the job script. But again I got the same error I got before. I
> noticed that now the energyup_1 file is empty again and case.enegydn_1 is
> missing.
> I repeated this in fresh directory, but nothing changes. My lapw with spin
> polarization runs without any problem. Only this hubard U inclusion gives
> troubles. Can this be an issue with my job script (attached in the previous
> reply) or installation?
>
> Thank you and I appreciate your valuable advice and support.I am re-sending this mail since I didn't get any reply yet. My apology about that.
> Daya
>
>
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-- 
William LAFARGUE-DIT-HAURET
PhD Student
--------------------------------------------------
Institut des Sciences Chimiques de Rennes UMR 6226
Equipe Chimie Théorique Inorganique
Université de Rennes 1 - Campus de Beaulieu
35042 Rennes, France
Building 10B, Desk 211
Phone: +33 (0)2.23.23.57.91
Email: william.lafargue-dit-hauret at univ-rennes1.fr

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