| 查看: 11417 | 回复: 41 | |||
| 【奖励】 本帖被评价33次，作者renshifei增加金币 29.5 个 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[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
欢迎发来filecode的Mz6后的代码验证其规律
已经有49人回复
-
咱们一起用铁证分析2026国家社科基金中标与否
已经有21人回复
-
哪位老哥知道今年的国自然具体哪一天放榜？
已经有5人回复
-
国基金的申报应该改成非等额制，评价高的钱多评价低的钱少，但是增加资助率
已经有8人回复
-
各位道友，我要去昆明玩几天，回来见。
已经有7人回复
-
filecode
已经有10人回复
-
奇怪，两个人的filecode固定段从头到尾一模一样
已经有11人回复
-
有时候，自然基金真的不能太认真 （我的申报经验）
已经有8人回复
-
应该是93bebmhtak前后十一个字符比较关键
已经有37人回复
-
好奇怪的filecode
已经有7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
40楼2016-01-26 14:35:24
2楼2010-05-26 18:48:53
3楼2010-05-26 18:50:07
4楼2010-05-26 19:11:14
