EFFECT OF K-SPACE INTEGRATION ON SELF-CONSISTENT SURFACE MAGNETIC-ANISOTROPY CALCULATIONS

We have performed self-consistent calculations of the magnetic anisotr opy of a free-standing Rh monolayer as a function of the number of poi nts sampled in the surface Brillouin zone (SBZ). The SBZ integration w as performed using a Gaussian broadening scheme as well as three diffe rent triangular integration schemes. A triangle integration scheme whi ch goes beyond the linear interpolation of the ordinary triangle schem e yields the fastest absolute convergence and small fluctuations.