[Pw_forum] Relax calculation in quantum espresso with 56 atoms had not been converged

Shaptrishi Sharma sh.shapt at gmail.com
Wed Aug 19 11:13:28 CEST 2009


Hi ,

I have submitted one relax calculation for 56 atoms in quantum espresso ,
however after 39 iterations it stops without any further informations, nor
even a CRASH file. So any body can suggest me what the possible reason?

Thanks
SS
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