| 查看: 559 | 回复: 2 | ||
| 本帖产生 1 个 博学EPI ，点击这里进行查看 | ||
[求助]
20金币求Siesta的简介
|
||
| 20金币求Siesta的简介 |
回复此楼» 猜你喜欢
希望面上有个好结果
已经有5人回复
-
sci论文二审求助
已经有4人回复
-
今年也是没消息就是没中么
已经有12人回复
-
咸菜
已经有6人回复
-
有谁可曾问过你过的还好吗？
已经有5人回复
-
函评
已经有7人回复
-
以CTAB等为模板水热合成的产物，如何除去模板？
已经有6人回复
-
申博
已经有3人回复
-
前几天时间戳更新了
已经有14人回复
-
买卖文章的刷屏了！
已经有3人回复
【答案】应助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
LRMsrLRM: 金币+20, 博学EPI+1 2015-10-11 13:52:23
LRMsrLRM: 金币+20, 博学EPI+1 2015-10-11 13:52:23
|
SIESTA is both a method and its computer program implementation, to perform efficient electronic structure calculations and ab initio molecular dynamics simulations of molecules and solids. SIESTA's efficiency stems from the use of strictly localized basis sets and from the implementation of linear-scaling algorithms which can be applied to suitable systems. A very important feature of the code is that its accuracy and cost can be tuned in a wide range, from quick exploratory calculations to highly accurate simulations matching the quality of other approaches, such as plane-wave and all-electron methods. The possibility of treating large systems with some first-principles electronic-structure methods has opened up new opportunities in many disciplines. The SIESTA program is distributed freely to academics and has become quite popular, being increasingly used by researchers in geosciences, biology, and engineering (apart from those in its natural habitat of materials physics and chemistry). Currently there are several thousand users all over the world, and the paper describing the method (J. Phys. Cond. Matt. 14, 2745 (2002)) has received more than 4500 citations so far. |
2楼2015-10-11 13:36:52
3楼2015-10-11 13:52:11