Materials SciencePhysicsComputer Science

First-principles computation of material properties: the ABINIT software project

X. Gonze, J. Beuken, R. Caracas, F. Detraux, M. Fuchs, G. Rignanese, L. Sindic, M. Verstraete, G. Zérah, F. Jollet, M. Torrent, A. Roy, Masayoshi Mikami, Philippe Ghosez, J. Raty, D. Allan

2002.11.1COMPUTATIONAL MATERIALS SCIENCE

DOI: 10.1016/s0927-0256(02)00325-7

tlooto Summary

ABINITv3.0 is described, in which freedom of sources, reliability, portability, and self-documentation are emphasised, in the development of a sophisticated plane-wave pseudopotential code.

Abstract

Abstract is not available.

Citation format

GONZE, X., et al. First-principles computation of material properties: The ABINIT software project. COMPUTATIONAL MATERIALS SCIENCE, 2002, 25: 478–492.