GULP: Capabilities and prospects

被引：194

作者：

Gale, JD ^{[1
]}

机构：

[1] Curtin Univ Technol, Dept Appl Chem, Nanochem Res Inst, Perth, WA 6845, Australia

来源：

ZEITSCHRIFT FUR KRISTALLOGRAPHIE | 2005年 / 220卷 / 5-6期

关键词：

atomistic simulation; lattice dynamics; phonons; electrostatics; GULP computer program; computational crystallography;

D O I：

10.1524/zkri.220.5.552.65070

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The current status and capabilities of the atomistic simulation code GULP are described. In particular, the differences between versions 1.3.2 and 3.0 are detailed, as well as a concise pointer to applications in computational crystallography.

引用

页码：552 / 554

页数：3

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