[QE-users] Can i determine fracture point when applying strain?

Hunar Rashid hunarrashid97 at gmail.com
Wed Jan 15 09:49:57 CET 2020


Hello QE users

I red this paper <https://arxiv.org/pdf/1601.00787.pdf> in which
stress-strain curve was determined using quantum espresso. I tried
following their steps and got a curve, but the curve continues forever, the
stress never reaches zero to indicate that the material fractured

Is there a way to determine the fracture point?

Thanks
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