[Pw_forum] ELF plotting problem

[Rita Maji]

Dear Dr. Pablo,
The problem is coming only for ELF (plot_num =8) calculation , I have also
done plot_num=9 and others which are working properly .
Also I have used same no. of cores for the calculations.
The elf plot is coming like this, please see the attachment , which I am
not able to understand .

Thanks,
Rita

On Wed, May 3, 2017 at 7:15 PM, Pablo García Risueño <
garcia.risueno at gmail.com> wrote:

> Dear Rita
>
> By a coincidence, I had a very similar problem today (I use plot_num=7
> instead of 8). Finally, everything went all right with the input file
> below.
>
>
> &INPUTPP
>    filplot='wavefunction700.wfn',
>    kband=700,
>    outdir='./',
>    plot_num=7,
>    kpoint=1,
>    lsign=.true.,
>    spin_component=0,
> /
> &plot
>    iflag=3,
>    output_format=5
>    fileout = 'Si35H36-band700.xsf'
> /
>
> Please note that it is necessary that you run pw.x and pp.x with the same
> number of cores, e.g. using:
>
>  mpirun -np 32 /QE_files/pw.x < scf.in
>  mpirun -np 32 /QE_files/pp.x < wfcs.in
>
> I hope that this can help you. Best regards.
>
> 2017-05-02 19:45 GMT+02:00 Rita Maji <rita.maji at niser.ac.in>:
>
>> Hi All,
>> There is some problem in ELF calculation . following is the input file,
>> can anybody help me .
>>
>> &INPUTPP
>>   outdir = './tmp'
>>   prefix = 'nh3'
>>   filplot = 'local'
>>   plot_num = 8
>> /
>> &PLOT
>>   iflag = 3
>>   output_format = 5
>>   fileout = 'diff.xsf'
>> /
>>
>>
>>
>>
>> Thanks,
>> Rita
>> NISER, BHUBANESWAR
>> INDIA
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>
>
>
> --
> --
>
> Dr. Pablo García Risueño
>
> Institut für Physikalische Chemie, Universität Hamburg, Grindelallee 117,
> 20146 Hamburg
>
> Tel. +49 040 42 83 84 82 7
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
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