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The convergence of the orthogonalized plane wave method
Author(s) -
Reser B. I.,
Dyakin V. V.,
Shirokovskii V. P.
Publication year - 1971
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220440143
Subject(s) - convergence (economics) , eigenvalues and eigenvectors , plane (geometry) , plane wave , energy (signal processing) , mathematics , diamond , mathematical analysis , physics , geometry , materials science , optics , statistics , quantum mechanics , economics , composite material , economic growth
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.