Used in the following papers: A ALLOUCHE, M OBERKOFLER, M REINELT AND CH LINSMEIER Quantum Quantum Modelling of Hydrogen Retention in Beryllium Bulk and Vacancies, J. Phys.Chem. C 114, 3588 (2010) A. ALLOUCHE, A.WILTNER, Ch. LINSMEIER Quantum modeling (DFT) and experimental investigation of beryllium–tungsten alloy formation, J. Phys.: Condens. Matter 21, 355011 (2009) A.ALLOUCHE Density functional study of hydrogen adsorption on beryllium (0001), Phys. Rev. B 78, 085429 (2008) A. ALLOUCHE AND CH. LINSMEIER Quantum study of tungsten interaction with beryllium (0001), J. Phys.:Conf.Ser. 117, 012002 (2008)