A fast method for non-spherical potential corrections in LMTO

Abstract A simple and efficient method to include non-spherical (NS) potential corrections in the linear muffin tin orbital (LMTO) method is presented. The method is a natural generalization of the standard LMTO method. Special care has been taken to introduce only the most important NS corrections to make the present method only 10% slower than the standard LMTO-ASA. The method is described and tested for the calculation of shear moduli in BCC and FCC transition metals. Results are in good agreement with so-called full potential calculations.