That is normal if you start from a saddle point, although it should decrease eventuallytotal force is raising with each bfgs step. Maybe I will have to keep the default values for etot_conv_thr and forc_conv_thr.
cheers -- Lorenzo Paulatto - Paris _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
