[QE-developers] Fwd: forrtl: severe (71): integer divide by zero error

[Arka Prava Sarkar]

Dear Developers,
Please find the attached input and output files.

Thanks and Regards,
অর্ক প্রভ সরকার
Arka Prava Sarkar
Research Scholar,
Centre for Computational and Data Sciences (CCDS)
Indian Institute of Technology, Kharagpur
West Bengal-721302
Email1: sarkar.arkaprava200 at gmail.com
Email2: arkaps.ccds at iitkgp.ac.in

---------- Forwarded message ---------
From: Arka Prava Sarkar <sarkar.arkaprava200 at gmail.com>
Date: Fri, 7 Aug 2020, 1:12 am
Subject: Re: [QE-developers] forrtl: severe (71): integer divide by zero
error
To: Paolo Giannozzi <p.giannozzi at gmail.com>


Dear Paolo,
Thanks for your kind response. Please find the attached files along with
this email.
N.B : slurm output file describes the error

On Fri, 7 Aug 2020 at 00:36, Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> Please provide an input and an output, otherwise it is impossible to say
> anything
>
> On Thu, Aug 6, 2020 at 9:04 PM Arka Prava Sarkar <
> sarkar.arkaprava200 at gmail.com> wrote:
>
>> Dear Developers,
>> I am trying to run an scf calculation of a Ti3C2O2 Mxene sheet. For the
>> 6*6*1 supercell, I am getting the error mentioned in the subject line. I
>> have done calculations with 4*4*1 and 5*5*1 supercells, the scf runs
>> converged. The 6*6*1 supercell is causing the trouble. Please let me know
>> the possible remedies for this.
>>
>> --
>>
>> *Thanks and Regards,*
>>
>> *অর্ক প্রভ সরকার*
>>  *Arka Prava Sarkar*
>> *Junior Research Fellow, *
>> *Centre for Computational and Data Sciences (CCDS)*
>> *Indian Institute of Technology, Kharagpur*
>> *West Bengal-721302*
>> *email1 : sarkar.arkaprava200 at gmail.com <sarkar.arkaprava200 at gmail.com>*
>> *email2 : arkaps.ccds at iitkgp.ac.in <arkaps.ccds at iitkgp.ac.in>*
>> <http://www.linkedin.com/in/quantum-arka-phys-497052>
>> _______________________________________________
>> developers mailing list
>> developers at lists.quantum-espresso.org
>> https://lists.quantum-espresso.org/mailman/listinfo/developers
>>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>

-- 

*Thanks and Regards,*

*অর্ক প্রভ সরকার*
 *Arka Prava Sarkar*
*Junior Research Fellow, *
*Centre for Computational and Data Sciences (CCDS)*
*Indian Institute of Technology, Kharagpur*
*West Bengal-721302*
*email1 : sarkar.arkaprava200 at gmail.com <sarkar.arkaprava200 at gmail.com>*
*email2 : arkaps.ccds at iitkgp.ac.in <arkaps.ccds at iitkgp.ac.in>*
<http://www.linkedin.com/in/quantum-arka-phys-497052>
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