[QE-developers] Fwd: Termination of magnetic calulations

[Microsoft.com team]

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.
 

 

 

 

Begin forwarded message:

 
 
 
 
 
>  
> 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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