Abstract
We have been calculating the electronic structure of solids with no long-range order using an order-N method.1 The origin of the term order-N is that the computer time required to carry out conventional calculations on N atoms increases as N3, but computational physicists have recently developed methods for which the increase in time is only linear in N. We call the order-N method that we use the locally self-consistent multiple scattering method (LSMS),2 and it has been shown to be a completely converged method for calculations within the density functional theory local density approximation (DFT-LDA).3
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© 1996 Plenum Press, New York
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Faulkner, J.S., Wang, Y., Stocks, G.M. (1996). Contributions to the Total Energy of Random Alloys. In: Gonis, A., Turchi, P.E.A., Kudrnovský, J. (eds) Stability of Materials. NATO ASI Series, vol 355. Springer, Boston, MA. https://doi.org/10.1007/978-1-4613-0385-5_21
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DOI: https://doi.org/10.1007/978-1-4613-0385-5_21
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