[Pw_forum] Imposed symmetry

[Timothy Mason]

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