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[热点] 有时候真觉得大城市人没有县城人甚至个体户幸福 苏东坡二世 2026-02-10 刚刚
[MS] 【求助】急!!!求高手帮助,MS安装问题 (1/496) 海洋kissy 2011-04-12 2011-04-12 17:02:12 by zzy870720z
[MS] 【求助】请问单个一个分子和一个分子在晶胞中计算红外光谱有啥区别? (5/1148) shuo2008 2010-12-01 2011-04-12 15:01:57 by yasistar
[MS] 【求助】请教CASTEP计算IR输出问题 (1/625) zhanping 2011-01-06 2011-04-12 15:00:45 by yasistar
[MS] 【求助】表面建模单个晶胞与多个晶胞是否有区别 (2/363) susie8642 2011-04-12 2011-04-12 14:41:53 by susie8642
[MS] 【求助】进行vibrational analysis时,双击虚频,没有动画演示,怎么回事? (0/200) qi-cheng 2011-04-12 2011-04-12 13:43:16 by qi-cheng
[MS] 【求助】任务计算失败 (4/434) yaoyinhua 2011-04-11 2011-04-12 12:29:58 by yaoyinhua
[MS] 【求助】测试收敛性。 (6/1409) Gina88 2011-01-23 2011-04-12 11:30:26 by dujunhui
[MS] 【求助】win7旗舰版装上后,从计算机属性中看,只显示有两个处理器 (3/700) 378287892 2011-04-10 2011-04-12 11:09:57 by 378287892
[MS] 【求助】MS test server gateway 问题 (7/1476) bianyuan2680 2011-04-09 2011-04-12 10:26:57 by guillarte
[MS] 【求助】material studio不能多任务并行 (3/1331) lywiailyw 2011-04-11 2011-04-12 10:22:51 by 风间的记忆
[MS] 【求助】关于sorption做吸附,结构优化,吸附热,两组分吸附问题。 (金币≥1)(14/229) hukd 2011-03-08 2011-04-12 08:44:25 by alfalfaxc
[MS] 【求助】如何根据已经建好的纳米线反过来计算合金的晶格常数 (1/261) zhanghuiyuan 2011-03-10 2011-04-11 23:32:52 by rose_marry
[MS] [关贴]【求助】MS中能否看出杂化类型 (2/805) liuhongge1 2011-04-11 2011-04-11 22:55:47 by souledge
[MS] 【求助】求使用ms 仿真碳纳米管的文献 (0/248) flymice 2011-04-11 2011-04-11 20:37:14 by flymice
[MS] 【求助】吸附脱硫模拟 (3/794) alfalfaxc 2011-04-11 2011-04-11 20:13:38 by alfalfaxc
[MS] 【求助】根号2×2的表面是什么意思? (5/1980) Copent 2010-04-05 2011-04-11 20:02:06 by 量化新手
[MS] 【求助】CASTEP TiO2结构 (1/403) 飘在空中的雨 2011-04-11 2011-04-11 17:22:29 by zzy870720z
[MS] 【求助】关于形成能的问题 (5/961) ahu1221 2011-02-23 2011-04-11 16:11:18 by pengjiutian
[MS] 【求助】大家帮忙看看这个MS输出结果里面的数据代表什么啊 (9/857) guolianshun 2011-01-04 2011-04-11 15:44:32 by guolianshun
[MS] 【求助】如何构建溶剂分子在聚酰亚胺中吸附的PI晶胞模型 (5/1399) lufuwei 2011-03-15 2011-04-11 15:30:58 by hanpeng972
[MS] 【求助】装了MS5.0 可依然没有CASTEP Dynamics 模块,哪位有,受累发一下,大恩不言谢 (0/218) 海洋kissy 2011-04-11 2011-04-11 12:36:57 by 海洋kissy
[MS] 【原创】ac建立一个没有力场的元素的盒子 (评阅+3) (1/326) zyj8119 2010-06-03 2011-04-11 12:36:15 by 萱月琪琪
[MS] 【求助成功】急求:水环境下相互作用能的计算 (1/397) 水之源 2011-04-07 2011-04-11 10:59:30 by 水之源
[MS] 【求助】在利用Dmol3计算纳米晶能带时,如何对计算结果进行合理修正? (1/317) liwh1990 2010-12-08 2011-04-11 10:58:15 by guolianshun
[MS] 【求助】请问各位大虾,在用Dmol3计算能带后怎样用剪刀差进行修正啊? (6/1086) liwh1990 2010-12-13 2011-04-11 10:44:45 by guolianshun
[MS] 【求助】MS的一些问题 (3/992) ljlnlj 2011-04-11 2011-04-11 10:39:22 by xianggui7895
[MS] 【求助】优化金属表面失败!!求指点 (6/1124) amition 2011-04-01 2011-04-11 10:16:12 by amition
[MS] 【求助】计算机问题 (1/295) fagege2010 2011-04-11 2011-04-11 09:54:59 by sophiazbs
[MS] 【求助】MS计算得到的DOS怎么和能带对应起来 (10/1127) guolianshun 2010-12-16 2011-04-11 08:07:11 by guolianshun
[MS] 【求助】MS软件中,如何解析有机化合物的红外光谱? (5/1572) sushuo 2011-03-29 2011-04-10 23:37:26 by phys
[MS] 【求助】新手求助-计算金属熔点怎么给系统升温?详细点谢谢 (2/207) zhangh710021 2011-04-10 2011-04-10 22:46:20 by zhangh710021
[MS] 【求助】请问一下晶体Tetragonal phase的shear anisotropic factor怎么求 (4/794) wzh上善若水 2011-04-09 2011-04-10 22:31:59 by wzh上善若水
[MS] 【求助】γ-Al2O3几何优化不收敛 (1/477) nnwang 2011-04-10 2011-04-10 19:06:39 by zzy870720z
[MS] 【求助】救助:MS模拟中找不CASTEP.Dynamics模块,怎么办?急 (2/418) 海洋kissy 2011-04-10 2011-04-10 18:58:52 by zzy870720z
[MS] 【求助】运行MS报错,download any results generated so far?这是什么问题呢 (1/816) ynml 2011-04-10 2011-04-10 18:55:55 by zzy870720z
[MS] 【求助】刚来的审稿意见,有关MS的,请问大家这句话是什么意思? (3/2901) tjufyn 2011-03-26 2011-04-10 15:43:18 by jwfu
[MS] 【求助】MS4.4讲述 CASTEP中Core-Level Spectroscopy的 ppt (0/244) yaoyinhua 2011-04-10 2011-04-10 12:13:24 by yaoyinhua
[MS] 【求助】Imma相的建模与收敛测试问题 (3/488) susie8642 2011-04-09 2011-04-10 08:37:33 by susie8642
[MS] 【求助】Licensing Error ! MS5.0 (6/1300) 贺仪 2011-03-08 2011-04-09 21:54:10 by ellsaking
[MS] 【求助】感觉MS就是把各个软件包组装起来    ( 1 2 3 4 ) (30/1787) byin 2010-06-13 2011-04-09 18:35:03 by 风间的记忆
[MS] [关贴]【求助】原子间相互作用能! (2/287) liang7035 2010-12-23 2011-04-09 16:56:05 by mittoefl
[MS] 【分享】Vacuum (真空)说明分享 (评阅+2) (3/568) guolianshun 2010-09-26 2011-04-09 16:24:09 by susie8642
[MS] 【求助】如何在MS中将氢分子加在Mg表面上? (5/1154) liancsh 2011-04-08 2011-04-09 11:26:32 by houfeifan
[MS] 【求助】为何两种结构计算出来的结果不一样? (3/472) chzhmei 2011-04-08 2011-04-09 10:40:22 by chzhmei
[MS] 【求助】求第一性原理,密度泛函等相关学习资料 (3/619) luoluoasdf 2011-04-07 2011-04-08 21:47:04 by youzhizhe
[MS] 【求助】请问PBE和PW91有何区别 (7/4677) crystalgirl1 2011-04-01 2011-04-08 20:48:36 by souledge
[MS] 【求助】计算下PbSe的导带价带位置,用那个板块啊? (8/656) guolianshun 2011-04-07 2011-04-08 20:00:06 by guolianshun
[MS] 【求助】这种优化结果收敛了吗? (5/830) stonezhoujun 2011-03-08 2011-04-08 19:16:14 by dlthl
[MS] 【求助成功】这怎么就收敛了呢?    ( 1 2 ) (10/1491) lzl8181 2010-11-02 2011-04-08 19:14:37 by dlthl
[MS] 【求助】Dmol3结构优化后计算能量时出现的问答题 (3/777) chenkejuan 2011-04-08 2011-04-08 16:58:11 by Andyzd
[MS] 【求助】哪位仁兄有castep做磁性计算的资料 (1/335) btvipvip 2009-11-22 2011-04-08 16:57:59 by luobenhua
[MS] 【求助】如何用castep计算某一能量区间内的电荷密度 (评阅-1) (4/994) hiyangyue 2011-04-07 2011-04-08 16:38:55 by hiyangyue
[MS] 【求助成功】关于mpi的问题 求助成功 (2/380) ahu1221 2011-04-07 2011-04-08 16:10:48 by ahu1221
[MS] 【求助】分子动力学 弛豫 某结构 (0/969) tc1788 2011-04-08 2011-04-08 16:10:28 by tc1788
[MS] 【求助】MS计算能带出错 (2/632) 小小中 2011-04-07 2011-04-08 15:23:53 by 火柴天堂7909
[MS] 【求助】castep中的Optical Permittivity和DC Permittivity (3/1110) spring5908 2010-05-17 2011-04-08 14:21:17 by spring5908
[MS] 【求助】建模 (0/230) 朱雪婷 2011-04-08 2011-04-08 08:45:42 by 朱雪婷
[MS] 【求助】dmol算计算结果,请大家看下讨论讨论。 (6/503) guolianshun 2011-04-02 2011-04-08 08:16:36 by guolianshun
[MS] 【求助】计算IR很长时间路径不动 (0/131) yaoyinhua 2011-04-08 2011-04-08 08:14:11 by yaoyinhua
[MS] 【求助】模型优化能量上升的问题 (3/469) ysdxkangjie 2011-04-07 2011-04-08 07:41:49 by ysdxkangjie
[MS] 【求助】弱弱的问下:能否用MS模拟金属和金属氧化物的置换反应呢? (1/169) s102991 2011-03-29 2011-04-07 20:59:08 by s102991
[MS] 【求助】CASTEP几何优化 能量 (6/1896) dlthl 2011-03-06 2011-04-07 20:30:40 by hecking
[MS] 【求助】castep如何计算某一能量范围内的电荷密度图 (0/197) hiyangyue 2011-04-07 2011-04-07 13:47:53 by hiyangyue
[MS] 【求助】TiO2的红外计算 (6/572) zzjzjnb 2010-04-28 2011-04-07 11:40:14 by yaoyinhua
[MS] 【求助】请教!!!各位高手希望能解决小弟的麻烦!!!! (4/593) superfcc 2010-10-27 2011-04-07 11:18:32 by franch
[MS] 【求助】建模问题 (6/663) 朱雪婷 2011-04-06 2011-04-07 08:31:04 by 朱雪婷
[MS] 【求助】IR spectrum分析 (9/2323) B.C.Wang 2009-09-17 2011-04-06 22:18:37 by yaoyinhua
[MS] 【求助】大家计算IR and Raman spectra 一般在什么样的设置下需要多久时间? (1/413) Excaliburn 2011-03-07 2011-04-06 22:14:21 by yaoyinhua
[MS] 【求助】关于DMol3 收敛阈值 (4/1853) guohui_Hao 2011-03-09 2011-04-06 22:13:10 by yaoyinhua
[MS] 【求助】CASTEP计算IR问题 (0/295) yaoyinhua 2011-04-06 2011-04-06 21:23:40 by yaoyinhua
[MS] 【求助】请问CASTEP中IR是计算材料的红外光谱吗 (2/1773) yaoyinhua 2011-04-05 2011-04-06 15:28:37 by yaoyinhua
[MS] 【求助】MS5.5队列问题 (7/765) sikasun 2011-04-01 2011-04-06 15:17:50 by sikasun
[MS] 【求助】castep怎么计算完了,显示计算数据下载失败呀?我就在自己电脑上算的,谢谢 (1/675) huangye2001 2011-04-06 2011-04-06 13:34:00 by zzy870720z
[MS] 【求助】在计算得到吸收图时为何横坐标是频率的单位,而不是波长的单位呢?比如多少纳 (2/324) liuy1235 2011-04-05 2011-04-06 11:23:19 by liuy1235
[MS] 【求助】castep收敛性测试与geo-optimiz的区别 (0/476) susie8642 2011-04-06 2011-04-06 10:52:36 by susie8642
[MS] 【求助】这句话的意思 (2/273) wunianleng 2011-03-31 2011-04-06 10:33:21 by luobenhua
[MS] 【求助】表面原子扩散 (4/1489) w2056275 2011-03-14 2011-04-06 09:36:04 by ellsaking
[MS] 【求助】internal error是什么原因 (2/233) chenkejuan 2011-03-30 2011-04-06 08:30:49 by zzy870720z
[MS] 【求助】Error: Parameter "^M" not found in current command tree path. (1/244) chenxiankai 2011-04-05 2011-04-06 00:17:59 by zzy870720z
[MS] 【求助】关于MS#2和#3的错误问题 (3/1005) ahu1221 2011-04-03 2011-04-06 00:09:35 by zzy870720z
[MS] 【求助】CASTEP突然歇停的奇怪现象 (5/1439) dkjiaoyang 2011-04-03 2011-04-05 23:40:46 by dkjiaoyang
[MS] 【求助】非常简单的调不出单晶体晶胞问题 (1/394) iceaiai 2011-03-14 2011-04-05 20:04:58 by franch
[MS] 【求助】castep计算成功,但提示有warnings (3/644) xmc8362 2010-08-02 2011-04-05 19:00:09 by 尹珺加油
[MS] 【求助】计算能带结构失败,请问原因,谢谢! (4/1105) 尹珺加油 2011-04-01 2011-04-05 17:26:35 by 尹珺加油
[MS] 【求助】DMol3中的dynamic (1/561) linldq 2011-03-20 2011-04-05 17:05:53 by franch
[MS] 【求助】做毕设用ms计算关于InN方面的,哪位大虾知道它的坐标(icsd参数)吗 (4/827) jqb040789 2011-03-25 2011-04-05 11:41:24 by icyspace
[MS] 【求助】请问:用MS怎样构建水合物?例如:五水硫酸铜 (1/271) 蜀中山鹰 2011-03-22 2011-04-05 00:11:36 by sunyang1988
[MS] 【求助】ms下硅晶体空位运动 (0/228) darmer 2011-04-04 2011-04-04 20:52:22 by darmer
[MS] 【求助】服务器上提交任务计算失败 (4/766) fengshiquan 2011-04-02 2011-04-04 16:59:04 by fengshiquan
[MS] 【求助】band gap (1/470) ly958 2011-03-21 2011-04-04 16:40:54 by ly958
[MS] 【求助】求助linux系统下的Dmol5.5 (3/481) wang1234wxj 2011-03-24 2011-04-04 16:40:14 by zzy870720z
[MS] 【求助】ultrasoft和norm-conserving赝势对能带态密度的影响? (1/1869) freshman8185 2011-04-03 2011-04-04 15:41:49 by jinzhulin000
[MS] 【求助】可以用几个CPU (8/746) interwc 2011-04-01 2011-04-04 10:45:06 by 剑魄诗魂
[MS] 【求助】计算弹性模量和泊松比 (8/3808) 蝶舞九天 2011-04-01 2011-04-04 00:04:01 by cash_ms
[MS] 【求助】请问在MS中如何做替位结构呢 (0/169) ahu1221 2011-04-03 2011-04-03 22:59:52 by ahu1221
[MS] 【求助】高斯 ESP (5/1312) mountwar 2011-04-02 2011-04-03 22:54:44 by zyj8119
[MS] [关贴]【求助】ms下建模的一些问题 (评阅-2) (1/582) llg1987 2011-04-03 2011-04-03 19:53:05 by franch
[MS] 【求助】求助用MS建酸性溶液环境 (3/430) baileylee 2011-03-31 2011-04-03 19:46:01 by fds329
[MS] 【求助】关于态密度的一个简单的问题 (2/883) water_水 2011-04-02 2011-04-03 16:27:10 by mazuju028
[MS] [专家] 【原创】CASTEP下跑MD大模型时碰到的问题及解决方法 (评阅+3) (5/1796) souledge 2011-01-10 2011-04-03 15:26:55 by llg1987
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