ALL-ELECTRON AND PSEUDOPOTENTIAL FORCE CALCULATIONS USING THE LINEARIZED-AUGMENTED-PLANE-WAVE METHOD - COMMENT

被引：20

作者：

SOLER, JM ^{[1
]}

WILLIAMS, AR ^{[1
]}

机构：

[1] IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 11期

关键词：

D O I：

10.1103/PhysRevB.47.6784

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We show that the atomic force formula of Yu, Singh, and Krakauer [Phys. Rev. B 43, 6411 (1991)] for the linearized-augmented-plane-wave method is equivalent to that previously found by us. In particular, a kinetic muffin-tin-surface contribution described by Yu, Singh, and Krakauer is shown to be also included in our formula.

引用

页码：6784 / 6786

页数：3

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