| 查看: 9439 | 回复: 41 | |||
| 【奖励】 本帖被评价33次，作者renshifei增加金币 29.5 个 | |||
[资源]
【分享】Singh, Planewaves, Pseudopotentials and LAPW Method
|
|||
|
经典的书，和各位虫友分享。 With its extreme accuracy and reasonable computational efficiency, the linearized augmented plane wave (LAPW) method has emerged as the standard by which density functional calculations for transition metal and rare-earth containing materials are judged. The second edition of Planewaves, Pseudopotentials and the LAPW Method presents an updated, thorough and self-contained exposition of the first principles methods for calculating properties of solids, in particular the "LAPW" method and will make connections between this method and planewave pseudopotential approaches. Theory is discussed, but the emphasis is on how practical implementation proceeds. In addition, the author suggests future directions for adapting the LAPW method to simulations of complex materials requiring large unit cells. He does this by elucidating the connections between the LAPW method and planewave pseudopotential approaches and by showing how Car-Parrinello type algorithms can be adapted to the LAPW method. The new edition contains new sections on developments over the last 10 years, including for example the LDA+U method, non-collinear magnetism and the APW+LO method. http://ishare.iask.sina.com.cn/f/7989294.html  http://ishare.iask.sina.com.cn/f/7989294.html 原文链接已经失效，新链接为： 链接: http://pan.baidu.com/s/1mgKFe7A 密码: bosp [ Last edited by ljw4010 on 2014-11-28 at 15:19 ] |
回复此楼» 收录本帖的淘帖专辑推荐
 第一性原理计算资源总汇 |
» 猜你喜欢
中科院杭州医学所招收博士生一名（生物分析化学、药物递送）
已经有4人回复
-
求个博导看看
已经有18人回复
-
自荐读博
已经有6人回复
-
投稿Elsevier的杂志（返修），总是在选择OA和subscription界面被踢皮球
已经有5人回复
-
青基代表作，AAAI之类的A会的special track在国内认可度高吗？还是归为workshop之流？
已经有3人回复
-
上海工程技术大学【激光智能制造】课题组招收硕士
已经有6人回复
-
上海工程技术大学张培磊教授团队招收博士生
已经有4人回复
-
临港实验室与上科大联培博士招生1名
已经有9人回复
-
写了一篇“相变储能技术在冷库中应用”的论文，论文内容以实验为主，投什么期刊合适？
已经有6人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 一本不错的书Video Tracking: Theory and Practice
已经有7人回复
- RSC的杂志，拒稿重投（reject and resubmssion）还需要回复审稿人意见吗？
已经有6人回复
- European Food Research and Technology 投稿 多久会变成 Under Review 呢
已经有8人回复
- 一本关于第一性原理方法的书：《Planewaves, Pseudopotentials and the LAPW Method》
已经有26人回复
- 求助：Materials Chemistry and Physics的word 模板
已经有5人回复
- 【求助完毕】VASP计算是怎么交代计算细节的？
已经有9人回复
- 【求助】relaxed and unrelaxed
已经有8人回复
- 【资源】Standard Handbook of Petroleum and Natural Gas Engin
已经有3人回复
- Applied Microbiology and Biotechnology期刊好快 一天就under review
已经有10人回复
- 评论性论文被materials and design接收
已经有28人回复
2楼2010-05-26 18:48:53
3楼2010-05-26 18:50:07
4楼2010-05-26 19:11:14
5楼2010-05-26 19:20:25
6楼2010-05-27 14:34:58
7楼2010-05-28 00:40:15
8楼2010-05-28 08:18:32
9楼2010-05-28 14:01:18
10楼2010-05-28 15:22:07
11楼2010-05-28 16:14:27
12楼2010-05-28 20:16:52
15楼2010-06-29 11:21:17
16楼2010-07-07 22:37:07
支持鼓励一下 17楼2010-07-07 23:22:13
18楼2010-07-20 22:33:01
20楼2010-07-31 13:14:28
21楼2010-10-27 15:10:11
22楼2010-10-27 16:32:16
23楼2010-10-28 08:50:44
24楼2010-11-02 08:50:12
26楼2010-12-17 19:36:34
27楼2010-12-21 09:12:05
28楼2010-12-25 15:04:43
29楼2010-12-27 14:29:49
30楼2010-12-27 23:21:28
|
本帖内容被屏蔽 |
31楼2011-02-26 09:51:29
32楼2011-03-11 16:43:28
34楼2011-03-16 12:12:11
35楼2011-03-16 13:02:05
37楼2011-05-05 06:37:14
39楼2011-11-04 15:34:38
40楼2016-01-26 14:35:24
42楼2017-06-22 12:11:01
简单回复
qzhaosdu13楼
2010-05-30 09:33
回复
顶！！！
akakcolin14楼
2010-05-30 11:46
回复
aaron198819楼
2010-07-31 02:45
回复
stoneyww25楼
2010-12-17 19:19
回复
谢谢分享
fansw112933楼
2011-03-16 08:11
回复
五星好评
lsr85063036楼
2011-04-26 11:39
回复
五星好评 
sswfnydx38楼
2011-09-29 10:25
回复
五星好评 
Nanobee41楼
2016-04-18 10:55
回复
五星好评 顶一下 [ 发自手机版 http://muchong.com/3g ]