[Pw_forum] DFT+U error

Pallavi Bothra pallavi.bothra43 at gmail.com
Thu Jan 8 18:10:02 CET 2015


Dear all,
             I got the similar problem posted in forum previously also (
http://qe-forge.org/pipermail/pw_forum/2014-September/105267.html).
But I did not find any clue from this.

Thanks a lot

Regards
Pallavi

On Thu, Jan 8, 2015 at 8:27 PM, Pallavi Bothra <pallavi.bothra43 at gmail.com>
wrote:

> Dear all,
>               I am trying to run DFT+U calculation on Co3O4 using 5.0.2
> version (Input and out files are attached).
> I tried with different machines, different processors (16, 32, 64, 128),
> but the error is quite consistent. One more thing which I did not mention
> in my last mail, the job ran for 44 iterations finely (so I guess there is
> no error in input file). Please see the output file.
> Even I tried with 4.3.2 version but no luck.
> I will be really grateful if someone tells me whether this is compilation
> error or anything else.
>
> Thanks in advance
>
> Regards
> Pallavi
>
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