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[热点] 一志愿北京交通大学材料工程总分358求调剂 cs0106 2026-04-10 刚刚
[MS] 【求助】Casteps几何优化中,遇到这样的提示通常该怎没办? (3/1296) lfzlpd 2011-02-21 2011-03-23 20:31:34 by souledge
[MS] 【求助】MS5.0 出现这样一个问题。。。 (5/1367) amition 2011-02-24 2011-03-23 20:12:00 by souledge
[MS] 【求助】小白求助关于internal coordinates (2/296) feierxide 2011-03-20 2011-03-23 19:22:24 by feierxide
[MS] 【求助】关于光催化的内容在哪计算呢? (5/757) liuy1235 2011-03-13 2011-03-23 17:17:59 by 飘在空中的雨
[MS] 【求助成功】如何调变分子筛中的硅铝比 (4/977) 学员NnOUhz 2011-02-28 2011-03-23 17:16:45 by 061302102
[MS] 【求助】在有机分子式中如何加待电荷的原子 (1/463) luckysds 2011-03-23 2011-03-23 17:04:44 by acridine
[MS] [关贴]【求助】MS5.5纳米盘上的版本不支持大于1000个原子的体系么? (3/524) jiewei 2011-03-23 2011-03-23 13:24:25 by lbambool
[MS] 【求助】amorphous 除了可以建模外可以计算材料的性质吗? (1/334) Excaliburn 2011-03-22 2011-03-23 11:40:37 by goldenfisher
[MS] 【求助】关于tio2建模 (1/733) 飘在空中的雨 2011-03-23 2011-03-23 11:00:45 by bingmou
[MS] 【求助】怎么把原子相连的实线改为虚线啊 (8/1790) uhfei 2011-03-20 2011-03-23 10:07:16 by uuv2010
[MS] 【求助】总能量的计算 (11/2253) longwangye 2011-03-19 2011-03-23 09:35:14 by longwangye
[MS] 【求助】怎样将经过discover分子动力学分析后的体系,施加电场? (0/402) 目丁 2011-03-22 2011-03-22 22:11:10 by 目丁
[MS] [求助]分子动力学模拟水分子通过SWCNT (3/1119) jianchaoyv2651 2009-03-02 2011-03-22 15:57:12 by 354895492
[MS] 【求助】为何计算时候出现“另一程序运行”怎么回事? (8/1138) coffey7835 2011-03-09 2011-03-22 15:52:57 by zhanglx8632
[MS] 【求助】MS导入cif文件后的问题 (2/1433) lblwsj 2010-07-03 2011-03-22 14:35:54 by gene98120785
[MS] 【求助】MS建模时可以更改原子半径么 (1/1657) xk6891 2011-03-20 2011-03-22 14:19:43 by xk6891
[MS] 【讨论】我装了MS4.4后,里面的DFTB方法为什么不能用啊? (2/1365) pashanhu105 2009-05-08 2011-03-22 14:18:25 by xk6891
[MS] 【求助】dmol3 计算中 的问题 (2/450) zhanglx8632 2011-03-22 2011-03-22 14:13:47 by zhanglx8632
[MS] 【求助】安装MS5.0后打不开import (1/284) 飘在空中的雨 2011-03-22 2011-03-22 14:06:14 by jiewei
[MS] 【求助】急问各位大哥,如何把ICSD中的模型导入到ms中,还是根本就不能导入    ( 1 2 ) (10/1675) xiaojivan 2011-01-14 2011-03-22 14:04:03 by gene98120785
[MS] 【求助】什么情况下搜不到过渡态 (0/223) liujie5631 2011-03-22 2011-03-22 12:15:26 by liujie5631
[MS] 【求助】castep计算总是失败,大家帮我分析一下原因 (3/1164) qx0813 2011-03-22 2011-03-22 11:49:12 by zzy870720z
[MS] 【求助】RDF图分析 (1/696) mountwar 2010-12-04 2011-03-22 10:16:50 by amin0241
[MS] 【求助】使用torque软件,提交任务后出错,求教! (5/1313) jdy19862002 2011-03-21 2011-03-22 09:31:04 by zzy870720z
[MS] 【转帖】求教高手 (4/446) fagege2010 2011-03-21 2011-03-22 09:29:40 by fagege2010
[MS] 【求助】怎么做48-原子的TiO2超晶胞 (2/398) 飘在空中的雨 2011-03-21 2011-03-22 08:30:55 by 薛金祥
[MS] 【求助】晶体表面的悬键如何画出?谢了 (0/363) zhaoyanfei 2011-03-21 2011-03-21 21:49:36 by zhaoyanfei
[MS] 【求助】几何优化 问题 (2/523) sssdashuai 2011-03-21 2011-03-21 21:30:30 by acridine
[MS] 【求助】CASTEP计算出介电函数的虚部如何分出xx轴和zz轴的光谱 (0/469) love5005 2011-03-21 2011-03-21 19:53:14 by love5005
[MS] 【求助】请问优化问题 (4/601) 尹珺加油 2011-03-20 2011-03-21 16:55:29 by 尹珺加油
[MS] 【求助】ms 怎么打开txt文件啊 (2/398) sssdashuai 2011-03-21 2011-03-21 16:48:17 by zzy870720z
[MS] 【求助】求助单斜晶系钒酸铋的晶格点阵 (0/406) dkjiaoyang 2011-03-21 2011-03-21 16:14:08 by dkjiaoyang
[MS] 【求助】用CASTEP做计算的时候LDA和GGA可否混用? (4/852) freshman8185 2011-03-15 2011-03-21 15:48:29 by iamkz
[MS] 【求助】要多高的配置? (4/400) interwc 2011-03-20 2011-03-21 14:24:58 by interwc
[MS] 【求助】几何优化问题 (3/551) sssdashuai 2011-03-21 2011-03-21 13:43:50 by uuv2010
[MS] 【求助】帮忙查一下NiTi的ICSD数据 (2/364) shelay 2011-03-19 2011-03-21 12:03:13 by zzy870720z
[MS] 【求助】castep求助 (金币≥10)(0/34) luobenhua 2011-03-21 2011-03-21 09:52:01 by luobenhua
[MS] 【求助】MS 可以import的类型有哪些? (6/1231) 5858797 2011-02-20 2011-03-21 09:42:51 by youzhizhe
[MS] ZnS的晶格常数是多少 (3/2401) lan徉yang 2011-03-20 2011-03-20 23:54:28 by zyxme
[MS] 【求助】形成焓计算 建模 (3/1555) xf8349756 2011-03-20 2011-03-20 21:19:15 by sunyang1988
[MS] 【求助】菜鸟求助 (2/349) 2235803 2011-03-18 2011-03-20 16:07:23 by 2235803
[MS] 【求助】第一性研究二氧化钛掺杂后的导带价带位置讨论 (7/2352) guolianshun 2011-03-10 2011-03-20 15:07:06 by bingmou
[MS] 【其他】MS计算问题讨论 (0/159) sss3012 2011-03-20 2011-03-20 13:03:05 by sss3012
[MS] 【求助】优化失败 (3/519) kong我就是我 2011-03-19 2011-03-20 12:02:29 by lfzlpd
[MS] 【求助】mulliken布局数可否这样理解? (1/722) freshman8185 2011-03-02 2011-03-20 11:05:51 by 尹珺加油
[MS] 【求助】CASTEP优化不收敛问题 (5/1634) xianggui7895 2011-03-04 2011-03-20 10:56:18 by 尹珺加油
[MS] 【求助】请问ms中内坐标u在哪可以看到? (3/1364) jhniu8233 2011-03-06 2011-03-20 10:54:26 by 尹珺加油
[MS] 【求助】求服务器配置 (0/387) fagege2010 2011-03-20 2011-03-20 10:06:05 by fagege2010
[MS] 【求助】碳纳米管掺杂后能带变化都会很大吗? (1/214) zhanglx8632 2011-03-20 2011-03-20 09:53:31 by 纳米材料753
[MS] 【求助】CASTEP里的参数怎么设? (8/1580) interwc 2011-03-18 2011-03-20 09:40:47 by liancsh
[MS] 【求助】几何优化问题 (25/4302) 李佳佳佳 2011-03-07 2011-03-19 21:30:38 by 李佳佳佳
[MS] 【求助】求MS4.3以上的版本,我的机子是XP64位专业版的 (4/832) gougou531 2011-03-15 2011-03-19 19:31:59 by 尹珺加油
[MS] 【求助】MSlinux安装 (0/456) lynarcissusly 2011-03-19 2011-03-19 18:14:53 by lynarcissusly
[MS] 【求助】Licenses for MS5.5 WIN7-64 error (1/542) jiewei 2011-03-19 2011-03-19 03:41:18 by zyxme
[MS] 【求助】文献翻译 (1/478) qqfly2003 2011-03-07 2011-03-18 21:17:39 by 尹珺加油
[MS] 【求助】请高人指点MS 优化问题 (2/569) yshl7237 2011-03-13 2011-03-18 20:54:29 by 尹珺加油
[MS] 【求助】服务器连接计算 (2/522) sss3012 2011-03-18 2011-03-18 18:50:25 by lbambool
[MS] 【求助】用GGA优化不收敛 (10/1589) ly958 2011-03-14 2011-03-18 16:25:06 by ly958
[MS] 【求助】表面吸附 (0/206) xfy0423 2011-03-18 2011-03-18 11:02:40 by xfy0423
[MS] 【求助】MS 5.5安装失败 求助 (5/912) milo163 2011-03-15 2011-03-18 09:02:55 by huweny87
[MS] 【求助】MS关于混合焓计算问题-怎样替换原子? (金币≥10)(1/75) youqin5912 2011-03-14 2011-03-17 16:24:21 by youqin5912
[MS] 【求助】如何做出Au簇的模型 (0/556) sunzhiguo 2011-03-17 2011-03-17 10:42:51 by sunzhiguo
[MS] 【求助】请教高手Au/TiO2{203}模型如何做 (4/423) sunzhiguo 2011-03-16 2011-03-17 10:40:52 by sunzhiguo
[MS] 【求助】请大家帮忙解决MS运行问题 (9/1719) who1981114 2011-03-15 2011-03-17 10:12:20 by who1981114
[MS] 【求助】谁有【能带和态密度图的绘制】的视频麻烦发个链接 (2/396) purewater2715 2011-03-09 2011-03-17 08:40:30 by meimeidyh
[MS] 【求助】帮忙看看是什么问题 (0/277) sssdashuai 2011-03-16 2011-03-16 15:03:14 by sssdashuai
[MS] 【求助】界面能的计算 (1/1276) lh_fang 2011-03-11 2011-03-16 13:07:42 by yefeixjtu
[MS] [关贴]【求助】无法让原子只在z方向弛豫 (2/281) guitar2033 2011-03-15 2011-03-16 12:18:21 by guitar2033
[MS] 【求助】Tio2模型为什么替换掉一个TI原子后,结构中的TI原子都变成替换了的? (2/358) liuy1235 2011-03-16 2011-03-16 12:07:47 by dali2006
[MS] 【求助】超晶格 Vs. 量子阱 (评阅+1) (5/1288) lfzlpd 2011-01-30 2011-03-16 11:00:27 by qqpie
[MS] 【求助】[求助]Phosphorus (P)的晶格参数 (3/531) yuchun 2011-03-14 2011-03-16 10:29:19 by yuchun
[MS] 【求助】frequency and phonon (2/416) cash_ms 2010-12-22 2011-03-16 08:59:38 by 冰雨雾
[MS] 【求助】晶体结构图 (5/706) mountwar 2011-03-15 2011-03-16 08:57:42 by youzhizhe
[MS] 【求助】请教一下各位二硫化钛的晶格常数及基矢是多少,非常感谢!!! (1/1220) 蜀中山鹰 2011-03-15 2011-03-15 23:16:03 by lindlar0078
[MS] [专家] 【求助】在materials studio里面能把一个结构作中心反演或者镜面吗? (0/863) dxcharlary 2011-03-15 2011-03-15 22:33:19 by dxcharlary
[MS] 【求助】服务器计算的问题 (10/1727) shelay 2011-02-24 2011-03-15 21:25:41 by lbambool
[MS] 【求助】购买castep的license数目问题 (4/762) yangger 2011-03-14 2011-03-15 20:14:39 by lbambool
[MS] 【求助】晶体硅与非晶硅 (1/523) 天天人间 2011-03-15 2011-03-15 16:07:47 by bingmou
[MS] 【求助】麻烦各位给查一下晶体结构原子坐标,PCPDF 48-0108 Ca2MgWO6 谢谢! (2/400) wy2008szy 2011-03-15 2011-03-15 15:26:02 by lindlar0078
[MS] 【求助】请教:用MS对富勒烯进行GGA几何优化时core treatment该如何设置呀? tabindex= (3/1010) songh_cn 2011-03-14 2011-03-15 11:49:51 by beefly
[MS] 【求助】castep优化失败 (0/316) luobenhua 2011-03-15 2011-03-15 11:24:25 by luobenhua
[MS] 【求助】通讯失败后就只有一两个cpu在计算了 (0/201) zhenfeili 2011-03-15 2011-03-15 11:23:43 by zhenfeili
[MS] 【求助】急:怎样在Ni(111)上建[(根号7)X(根号7)]R30°的复杂单胞 (1/666) zcntydyd 2011-03-15 2011-03-15 11:22:00 by 渔火江枫
[MS] 【求助】建模型草图疑惑 (0/177) yangbob 2011-03-15 2011-03-15 11:14:04 by yangbob
[MS] 【求助】拜托各位了,求助文献 (0/162) nwx_ky 2011-03-15 2011-03-15 09:08:58 by nwx_ky
[MS] 【求助】ms运行与IE有关吗? (2/384) wunianleng 2011-03-14 2011-03-14 15:33:52 by youzhizhe
[MS] 【求助】启动MS时出现这个错误提示 (3/622) hans201011 2011-03-08 2011-03-14 13:25:50 by jacky.linn
[MS] 【求助】如何从MS中得到自发极化强度? (金币≥1)(0/64) 274273 2011-03-14 2011-03-14 13:14:30 by 274273
[MS] 求助:MS castep 可以算极化强度 (2/622) yangkunspace 2009-03-08 2011-03-14 12:56:33 by 274273
[MS] 【求助】如何计算晶体极化强度 (评阅+1) (1/673) 以诚相待 2010-03-28 2011-03-14 12:55:09 by 274273
[MS] 【求助】紧急求助,急需帮忙。 (0/120) convenient 2011-03-14 2011-03-14 11:43:52 by convenient
[MS] 【求助】用CASTEP怎么算体系的偶极矩 (1/596) 姚姗姗 2010-11-09 2011-03-14 10:55:25 by 目光之城
[MS] 【求助】求助MS计算式任务进行顺序的问题 (7/1270) hello8128 2011-03-07 2011-03-13 20:04:11 by souledge
[MS] 【求助】求ZnO价带顶能量 (1/407) kangli8165 2011-03-13 2011-03-13 14:58:33 by stractor
[MS] 【求助】请问Casetep中内参数u是直接看到的还是算出来的,如果是算出来的,怎么算? (7/1293) jhniu8233 2011-03-07 2011-03-13 13:05:49 by 尹珺加油
[MS] 【求助】电子donor和acceptor (0/788) mountwar 2011-03-13 2011-03-13 10:13:07 by mountwar
[MS] 【求助】氢键 (0/269) mountwar 2011-03-12 2011-03-12 21:15:34 by mountwar
[MS] 用dmol3算振动频率 (0/473) luqianshan 2011-03-12 2011-03-12 17:07:31 by luqianshan
[MS] 【求助】单个氧原子的能量E出现问题,请高手指教! (18/3674) liang7035 2010-12-08 2011-03-12 15:54:16 by hiluokun
[MS] 【分享】MS castep 计算化学高级教程 (评阅+1) (金币≥10)(6/291) lixxyyzzz 2009-06-04 2011-03-12 13:32:43 by 陈余酒家
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