Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials

A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in materials science and solid-state physics. It is particularly intended for those with a generqal knowledge in quantum chemistry and intends to give a deeper insight into the algorithms and computational techniques in ab-inition computer codes for crystals. Three different programs which are available on request are presented.