Hellmann-Feynman Forces in the DFT plus U Method with Ultrasoft Pseudopotentials

被引：5
|
作者：
Hamada, Ikutaro [1 ]
机构：
[1] Natl Inst Mat Sci, Int Ctr Mat Nanoarchitecton WPI MANA, Tsukuba, Ibaraki 3050044, Japan
来源：
JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN | 2013年 / 82卷 / 10期
关键词：
DFT plus U; atomic force; ultrasoft pseudopotential; APPROXIMATION; FORMALISM;
D O I：
10.7566/JPSJ.82.105002
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
[No abstract available]
引用
收藏
页数：2
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