GREEN–FUNCTION METHOD FOR ELECTRONIC STRUCTURE OF PERIODIC CRYSTALS

R. Zeller
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R. Zeller: Institut für Festkörperforschung, Forschungszentrum Jülich, D–52425 Jülich, Germany

International Journal of Modern Physics C (IJMPC), 1993, vol. 04, issue 06, 1109-1116

Abstract: A new Green–function program for electronic–structure calculations for periodic crystals in shortly described and some modifications necessary for using the Intel iPSC/860 are given. The computing power of the iPSC/860 for the total–energy calculation of fcc Cu is compared to various other computers.

Date: 1993
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DOI: 10.1142/S0129183193000860

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