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 <[email protected]> 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 <[email protected] > > 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 >> > >
Co3O4_A_4_layer.in
Description: Binary data
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