Norm-conserving pseudopotential database (NCPS97)

被引：140

作者：

Kobayashi, K ^{[1
]}

机构：

[1] Natl Inst Res Inorgan Mat, Tsukuba, Ibaraki 305, Japan

来源：

COMPUTATIONAL MATERIALS SCIENCE | 1999年 / 14卷 / 1-4期

关键词：

norm-conserving; pseudopotential; first-principles; database; band; CD-R;

D O I：

10.1016/S0927-0256(98)00074-3

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Norm-conserving pseudopotential database (NCPS95) was prepared in 1995. This database is distributed by CD-R media. NCPS95 is updated in order to be available for 5d transition metals etc. In this database, lattice properties and electronic band structures without ghost bands are checked. (C) 1999 Elsevier Science B.V. All rights reserved.

引用

页码：72 / 76

页数：5

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