Shall all the three criteria (etot_conv_thr, forc_conv_thr, cell) be satisfied to finish the relaxation calculation in Quantum Espresso?

Dear Sir I'm beginner for Quantum Espresso? I conducted this calculation using Quantum Espresso, but I observed that the final total energy is more than the etot_conv_thr but the total force...

02 February 2019 2,225 7 View