| 查看: 8036 | 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
一志愿中国海洋大学，生物学，301分，求调剂
已经有6人回复
-
081700化工学硕调剂
已经有3人回复
-
材料学硕318求调剂
已经有4人回复
-
329求调剂
已经有4人回复
-
一志愿吉林大学材料学硕321求调剂
已经有11人回复
-
一志愿苏州大学材料求调剂，总分315（英一）
已经有3人回复
-
0703化学调剂
已经有14人回复
-
320求调剂0856
已经有3人回复
-
307求调剂
已经有9人回复
-
288求调剂
已经有15人回复
» 本主题相关商家推荐: (我也要在这里推广)
16楼2008-09-11 09:28:21
2楼2008-09-10 11:19:31
4楼2008-09-10 13:45:28
6楼2008-09-10 14:17:16
