| 查看: 1778 | 回复: 6 | ||||||
lyqwin金虫 (正式写手)
|
[交流]
一篇全面介绍abinit功能的文章-CPC（30多页） 已有5人参与
|
|
摘要如下，适合初学者用 ABINIT [http://www.abinit.org] allows one to study, from first-principles, systems made of electrons and nuclei (e.g. periodic solids, molecules, nanostructures, etc.), on the basis of Density-Functional Theory (DFT) and Many-Body Perturbation Theory. Beyond the computation of the total energy, charge density and electronic structure of such systems, ABINIT also implements many dynamical, dielectric, thermodynamical, mechanical, or electronic properties, at different levels of approximation. The present paper provides an exhaustive account of the capabilities of ABINIT. It should be helpful to scientists that are not familiarized with ABINIT, as well as to already regular users. First, we give a broad overview of ABINIT, including the list of the capabilities and how to access them. Then, we present in more details the recent, advanced, developments of ABINIT, with adequate references to the underlying theory, as well as the relevant input variables, tests and, if available, ABINIT tutorials. |
回复此楼» 本帖附件资源列表
-
欢迎监督和反馈：小木虫仅提供交流平台，不对该内容负责。
本内容由用户自主发布，如果其内容涉及到知识产权问题，其责任在于用户本人，如对版权有异议，请联系邮箱：xiaomuchong@tal.com - 附件 1 : ABINITFirst-principlesapproachtomaterialandnanosystemproperties.pdf
2012-11-10 11:16:23, 815.76 K
» 收录本帖的淘帖专辑推荐
 第一性原理相关文档 | 科研技巧 | 计算 |
» 猜你喜欢
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有4人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有4人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有5人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有6人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有7人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有4人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有5人回复
-
5个%2F，非固定段22个字母
已经有12人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有5人回复
-
售T0P一区SCI文章，我:8O5.51.O.54,科目齐全,可＋急
已经有5人回复
  |
2楼2012-11-10 12:28:31
3楼2012-11-11 06:30:02
|
|
4楼2012-11-12 09:15:04
lyqwin
金虫 (正式写手)
- 应助: 2 (幼儿园)
- 金币: 2254.4
- 红花: 2
- 帖子: 863
- 在线: 192.1小时
- 虫号: 481493
- 注册: 2007-12-18
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
5楼2012-11-12 10:28:35
tangosnow
木虫 (小有名气)
- 应助: 37 (小学生)
- 金币: 4531.9
- 散金: 5
- 红花: 4
- 帖子: 295
- 在线: 284.6小时
- 虫号: 325625
- 注册: 2007-03-17
- 性别: GG
- 专业: 凝聚态物性 II ：电子结构
6楼2012-11-13 00:01:27
 |
7楼2012-11-13 09:37:46
10