Convergence of force calculations for noncrystalline Si

D. A. Drabold, J. D. Dow, P. A. Fedders, A. E. Carlsson, Otto F. Sankey

Research output: Contribution to journalArticlepeer-review

27 Scopus citations


We compare the forces generated by various angle-dependent potentials and by ab initio band-structure calculations with a limited number of k points. In cells with 32 and 54 atoms we find substantial errors for all of the angle-dependent-force models, as well as for the band-structure forces with very few k points.

Original languageEnglish
Pages (from-to)5345-5348
Number of pages4
JournalPhysical Review B
Issue number8
StatePublished - 1990


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