Relaxation stops when subsequent total energies differs by less than ecut_conv_thr (in Ry) AND each force component on any atom is less than force_conv_thr (in Ry/a.u.). BOTH conditions must be satisfied. usually the determining one is the one on forces.
Stefano de Gironcoli - SISSA and DEMOCRITOS PS: Please do not forget to provide your affiliation Dimpy Sharma wrote: > Hi > > Can anybody please tell me the difference meaning of ecut_conv_thr and > forc_conv_thr > > ------------------------------------------------------------------------ > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
