[Pw_forum] DFT+U error

[Pallavi Bothra]

Dear all,
              One more thing, I am even trying with 4 layers slab (contains
24 atoms) instead of previous 8 layered one (contains 56 atoms) and also
have considered all the available pseudopotentials but nothing helps.
Input file for 4 layers is attached.
Please if someone has any clue, help.

Regards
Pallavi

On Thu, Jan 8, 2015 at 10:40 PM, Pallavi Bothra <pallavi.bothra43 at gmail.com>
wrote:

> 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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