[QE-users] Fwd: Termination of magnetic calulations

[Microsoft.com team]

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> From:  Microsoft.com team  <hammad_tarek at hotmail.com>
>   Date:  29 Aug 2024 at 18:26
>   To:  General discussion list for Quantum ESPRESSO developers  <developers at lists.quantum-espresso.org>
>   Subject: Fwd: Termination of magnetic calulations
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> Dear qe team
>  
> I am trying to perform band structure calculations on BiFeO3 AFM compound but at the early beginning the run terminated !!!!. I think that my inps gules are fine. I attached herein my files.
>  
> Thanks alot
>  
> Dr. Tarek Hammad.
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> Begin forwarded message:
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> >  
> > From:  Tarek  <hammad_tarek at hotmail.com>
> >   Date:  29 Aug 2024 at 16:13
> >   To:  Gavin Abo  <gabo13279 at gmail.com>
> >   Subject: Termination of magnetic calulations
> >  
> >  
> >  Dear Prof. Gavin
> >
> > I hope my message finds you very well.
> >
> > In fact, I ran DFT calculations on BiFeO3 antiferromagnetic compound 
> > using  q-e-qe-6.7.0  code .
> >
> > The termination of the calculations was found in bands calculation !!!.
> >
> > I tried all the best to overcome the problem but no way !!!!!.
> >
> > Here, in this message I attach the input files and the return message of 
> > termination.
> >
> > Please, I hope to help me.
> >
> > Thanks a lot in advance.
> >
> > Yours sincerely
> >
> > Tarek Hammad.
> >    
>      
     
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