But sir in some case it works. So, what should I do for the this type of problems because same calculation is running without any error on my PC and it crashing on clustures.
*Mohammad Ubaid* *PhD Research Scholar* *Department of Physics* *Jamia Millia Islamia University* *New Delhi - 110025* On Thu, Mar 14, 2019 at 12:15 PM Paolo Giannozzi <[email protected]> wrote: > It's a frequently reported problem, due to the usage of "ibrav=0" with > lattice vectors or atomic positions not exactly symmetric. ibrav=0 should > not be used for systems having some symmetry. > > Paolo > > On Thu, Mar 14, 2019 at 5:58 AM Ubaid Mohd <[email protected]> wrote: > >> Dear all QE users, >> I am doing charge density difference calculation of two different layer >> system. After doing the scf calculation of complete system, I need to do >> same scf calculation for both the isolate monolayers separately keeping the >> size of unit cell and atomic postion of the atom same. I have done >> succesfully all calculations of monolayer I. When I am trying to do the scf >> calculation of monolayer II (Blue Phosphorene_3x3), job crashes. Input and >> output file is attached along with CRASH file. Please have a look these >> files and help me. >> Would you please give me some suggestion on what might be the issue? >> >> Thanks and regards >> *Mohammad Ubaid* >> *PhD Research Scholar* >> *Department of Physics* >> *Jamia Millia Islamia University* >> *New Delhi - 110025* >> _______________________________________________ >> users mailing list >> [email protected] >> https://lists.quantum-espresso.org/mailman/listinfo/users > > > > -- > 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 > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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