Dear Stefano, >> ii) some noise comes >in unporposedly, because of numerical accuracy >>(this >> is often coped is, >again as suggested by Gabriele, by explicitly >> >>>simmetrizing the resulting >forces),
does this imply that a good fix to the checkallsym error in vc-relax is to increase ecut to avoid numerical errors that would break the symmetry during vc-relax? Tim Mason University of Missouri St. Louis
