The convergence of the orthogonalized plane wave method

✍ Scribed by B. I. Reser; V. V. Dyakin; V. P. Shirokovskii

• Publisher: John Wiley and Sons
• Year: 1971
• Tongue: English
• Weight: 475 KB
• Volume: 44
• Category: Article
• ISSN: 0370-1972
• DOI: 10.1002/pssb.2220440143

✦ Synopsis

Abstract

The convergence of the OPW method is investigated systematically. An analytical estimate is given which shows that the convergence of the OPW method is rather weak. Numerical calculations of the energy band structure of diamond are done using a great number of OPW's (up to 900). The results show that even in this case a stabilization of the energy eigenvalues does not occur.