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

Arka Prava Sarkar sarkar.arkaprava200 at gmail.com
Thu Aug 6 19:30:27 CEST 2020


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>
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