| 查看: 527 | 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
面上可以超过30页吧？
已经有13人回复
-
网上报道青年教师午睡中猝死、熬夜猝死的越来越多，主要哪些原因引起的？
已经有10人回复
-
为什么中国大学工科教授们水了那么多所谓的顶会顶刊，但还是做不出宇树机器人？
已经有13人回复
-
什么是人一生最重要的？
已经有8人回复
-
版面费该交吗
已经有17人回复
-
体制内长辈说体制内绝大部分一辈子在底层，如同你们一样大部分普通教师忙且收入低
已经有19人回复
-
【博士招生】太原理工大学2026化工博士
已经有8人回复
-
280求调剂
已经有4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