A SYSTEMATIC NUMERICAL ERROR IN APW CALCULATIONS

被引：19

作者：

GREISEN, FC

机构：

[1] Physics Laboratory I, Technical University of Denmark, Lyngby

来源：

PHYSICA STATUS SOLIDI | 1968年 / 25卷 / 02期

关键词：

D O I：

10.1002/pssb.19680250228

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A recalculation of the final stage of two self‐consistent APW band structure calculations for Cu and Al shows the stated energies to be in error up to 0.08 Ry. It is also shown that a probable source of the error is an incorrect starting of the radial integrations. Copyright © 1968 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim

引用

页码：753 / &

共 7 条

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