| 查看: 8016 | 回复: 71 | |||
| 【奖励】 本帖被评价54次，作者okhere8815增加金币 47.5 个 | |||
| 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» 收录本帖的淘帖专辑推荐
 MS第一性原理 |
» 猜你喜欢
材料与化工求调剂
已经有7人回复
-
304求调剂
已经有3人回复
-
0817 化学工程 299分求调剂 有科研经历 有二区文章
已经有12人回复
-
085600材料与化工调剂 324分
已经有12人回复
-
286求调剂
已经有10人回复
-
324分 085600材料化工求调剂
已经有3人回复
-
317求调剂
已经有6人回复
-
307求调剂
已经有5人回复
-
求调剂
已经有3人回复
-
求调剂，一志愿:南京航空航天大学大学 ，080500材料科学与工程学硕，总分289分
已经有3人回复
» 本主题相关商家推荐: (我也要在这里推广)
48楼2008-10-08 22:04:15
2楼2008-09-10 11:19:31
4楼2008-09-10 13:45:28
6楼2008-09-10 14:17:16
