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 ________________________________ This email and any files transmitted with it are confidential and intended solely for the use of the individual or entity to whom they are addressed. If you have received this email in error please notify Email System Administrator ([email protected] ) . Please note that any views or opinions presented in this email are solely those of the author and do not necessarily represent those of the Umm Al-Qura University. Finally, the recipient should check this email and any attachments for the presence of viruses. The Information Technology and Technical Support Center of Umm Al-Qura University accepts no liability for any damage caused by any virus transmitted by this email.
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