| 查看: 9842 | 回复: 71 | ||
| 当前主题已经存档。 | ||
| 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】把最好MS 资料留给我们同行朋友——到目前为止，我见到最好学习castEP材料
|
||
|
把最好的MS 资料留给我们同行朋友——到目前为止，我见到最好学习lasttEP材料 把最好的MS 资料留给我们同行朋友——到目前为止，我见到最好学习castEP材料 全讲稿下载点 http://www.tcm.phy.cam.ac.uk/castep/workshops.html 详细内容： CASTEP WorkshopsCASTEP Workshop - 17th - 21st September 2007, University of YorkThe CDG held a five-day training workshop on the ab initio simulation package CASTEP at the University of York from the 17th to 21st September 2007. The lecturers were the CDG plus Professor Mike Payne (Cambridge University), Dr Jonathan Yates (Cambridge University) and Dr Johan Carlsson (Fritz-Haber Institute, Berlin). The programme of the workshop was: Monday 17th September Tuesday 18th September Wednesday 19th September Thursday 20th September Friday 21st September 9:10 Welcome and announcements 9:15 The CASTEP Story (Mike Payne) 10:15 Coffee Break 10:45 Density Functional Theory and the LDA (Mike Payne) 11:45 Electronic Structure in the Solid State (Johan Carlsson) 9:15 The Ingredients of a Plane-Wave simulation (Matt Segall) 10:15 Coffee Break 10:45 Finding the Electronic Ground State (Phil Hasnip) 11:45 Band-Structure Calculations; Electronic and Optical Properties (Stewart Clark) 9:15 Convergence, Convergence, Convergence – How to Get Meaningful Answers (Keith Refson) 10:15 Coffee Break 10:45 Geometry Optimization (Matt Probert) 11:45 Structural Calculations, Phase Stability, Surfaces and Interfaces (Keith Refson) 9:15 Pseudopotentials (Johan Carlsson) 10:15 Coffee Break 10:45 Molecular Dynamics (Matt Probert) 11:45 NMR Chemical Shifts and Related Properties (Jonathan Yates) 9:15 Wannier Functions, Berry Phase and Finite Electric Fields (Phil Hasnip) 10:15 Coffee Break 10:45 Exchange Correlation Functionals: Successes, Failures and Prospects (Stewart Clark) 11:45 Phonons and Dielectric Response Calculations (Keith Refson) Lunch 14:00 Introduction to the CASTEP Code (Stewart Clark) parameters keywords cell keywords 15:00 Practical Exercises (Total energy) 15:30 Tea Break 16:00 Practical Exercises continued 14:00 Demo of Accelrys Materials Studio 15:00 Practical Exercises (Materials Studio) 15:30 Tea Break 16:00 Practical Exercises continued 14:00 Practical Exercises (Geometry Optimisation) 15:30 Tea Break 16:00 Practical Exercises continued 14:00 Practical Exercises (NMR) 15:30 Tea Break 16:00 Practical Exercises (Pseudopotentials) 14:00 Practical Exercises (Phonons) 15:30 Tea Break 16:00 Practical Exercises continued [search]MS[/search] [ Last edited by aylayl08 on 2010-3-16 at 10:02 ] |
回复此楼» 猜你喜欢
售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急
已经有9人回复
-
售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急
已经有8人回复
-
国自然面上复盘~欢迎讨论
已经有15人回复
-
中青基了要发朋友圈吗？
已经有3人回复
-
国自然评审意见
已经有19人回复
-
有多少人是今天查系统知道结果的？
已经有18人回复
-
我就是申请一个面上项目而已，这评审意见是按照杰青的条件评的吧？
已经有9人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有5人回复
-
售SCI一区T0P文章，我:8.O.55.1.O54,科目全,可伽急
已经有4人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有5人回复
» 本主题相关商家推荐: (我也要在这里推广)
69楼2009-02-27 09:44:51
2楼2008-09-10 11:19:31
4楼2008-09-10 13:45:28
6楼2008-09-10 14:17:16
投票:
