[Pw_forum] no minima energy and Illegal instruction: 4
Abdullah N. Albarakati
anbarakati at uqu.edu.sa
Sat Oct 10 00:08:14 CEST 2015
Dear all,
I have run pw.x (QE v5.02) to find the lattice constant of the bulk Pb(Mg1/3Nb2/3)O3 at which Etot is minima. I started with lattice constant equal to 7.00 a.u and then I gradually increased the lattice constant up to 10.00 a.u without reaching to the minimal energy. For lattice constant equals to 12.00 a.u the code stopped and I got the message " Illegal instruction: 4"
what do I have to do to overcome this problem?
Thank you in advance,
Aloushbarakat i
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