Abstract
For total-energy calculations in semiconductors a real-space method is presented which avoids the introduction of periodic k-space. The wavefunctions are expanded on a local Gaussian basis. Exchange and correlation are treated in the local-density approximation, and the core electrons are simulated by a norm-conserving, non-local pseudopotential. Using this approach the bulk properties of silicon are reproduced satisfactorily. The method is used to calculate the stacking fault energies in Si, yielding values in good agreement with experiment.
