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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 2026-02-09 刚刚
[MS] [已完结]关于指定原子的问题    ( 1 2 ) (10/1774) charityqi 2011-06-05 2011-06-10 10:38:35 by nwx_ky
[MS] [已完结]如何将原子变成离子 (0/1748) nwx_ky 2011-06-10 2011-06-10 10:35:45 by nwx_ky
[MS] 【求助】向服务器提交含特定原子的任务总是失败：Failure in writing file to gateway (20/2162) xmc8362 2010-07-15 2011-06-10 09:57:58 by xmc8362
[MS] [已完结][关贴]讨论 (0/264) nwx_ky 2011-06-10 2011-06-10 08:44:15 by nwx_ky
[MS] [已完结]装上MS5.5却不能计算calculation (6/992) luoluoasdf 2011-05-18 2011-06-10 06:47:03 by 流火
[MS] [已完结][关贴]楼主你好！ (1/229) cocoling 2011-06-09 2011-06-09 20:24:08 by gongjijun
[MS] [已完结][关贴]ms中自由能与温度的关系 (金币≥10)(0/69) csyao 2011-06-09 2011-06-09 17:23:55 by csyao
[MS] [已完结]求助castep中吸收系数的计算 (3/907) shuo2008 2011-05-23 2011-06-09 17:19:25 by shuo2008
[MS] MS模拟退火 (6/3437) 朱雪婷 2011-06-04 2011-06-09 13:40:08 by 朱雪婷
[MS] [已完结]利用MS能计算高温性能么？ (5/918) azhengren 2011-06-07 2011-06-09 09:40:59 by babaleo
[MS] [已完结]密度泛函理论与MS软件间的关系 (2/2222) 韩D小希 2011-06-08 2011-06-09 08:11:31 by yufengjiayou
[MS] [已完结]求助Dmol3报错信息 (2/481) huanghl2010 2011-06-07 2011-06-08 12:48:00 by huanghl2010
[MS] [已完结]CASTEP计算单原子能量提示怎么解决，这样是否已计算成功？ (0/1162) qiudong1009 2011-06-08 2011-06-08 10:29:02 by qiudong1009
[MS] [已完结]Gateway 问题 (7/1478) ping888 2011-05-28 2011-06-07 19:16:20 by ping888
[MS] [已完结]求助CASTEP中BFGS算法是如何实现的？ (2/1726) 目光之城 2011-06-07 2011-06-07 17:49:04 by dxcharlary
[MS] 【求助】关于表面吸附模拟中温度设定的问题 (金币≥50)(2/79) jdlongbing 2010-04-23 2011-06-07 15:34:25 by houfeifan
[MS] [已完结]CASTEP计算的O2的结合能 (3/1808) houfeifan 2011-06-06 2011-06-07 15:20:10 by houfeifan
[MS] [已完结]请问CASTEP能计算离化能吗？ (0/302) freshman8185 2011-06-07 2011-06-07 13:45:49 by freshman8185
[MS] [已完结]MS 计算 晶体 LaZnAsO 的 原子布居分析La的P轨道出现负值？ (4/1548) daisuper 2011-06-05 2011-06-06 23:01:04 by daisuper
[MS] [已完结][关贴]求助 (0/218) ljh-000 2011-06-06 2011-06-06 21:34:12 by ljh-000
[MS] [已完结]有没有计算吸收多少光子产生多少载流子的软件？ (0/479) freshman8185 2011-06-06 2011-06-06 13:45:35 by freshman8185
[MS] [已完结]用第一性原理算出的镁的层错能一般在多少范围内比较正常？ (0/516) candyzhu 2011-06-04 2011-06-04 17:38:27 by candyzhu
[MS] [已完结]弹性常数问题 (0/541) ljlnlj 2011-06-04 2011-06-04 13:58:28 by ljlnlj
[MS] [已完结]DFT中何时需要考虑自旋极化的影响？ (2/2764) gfunction 2011-06-02 2011-06-04 08:01:07 by identation
[MS] [关贴]模拟 (1/372) 朱雪婷 2011-06-03 2011-06-03 21:21:31 by wzbhit
[MS] [已完结]请教MS4.4 Linux下安装提示 msiinstall语法错误    ( 1 2 ) (14/1640) 04nylxb 2011-05-27 2011-06-03 15:00:12 by njuswj
[MS] 哪个老板单独买了castep呢，有吗？ (金币≥1)(6/125) zsl_321123 2011-06-02 2011-06-03 13:31:26 by njuswj
[MS] [已完结]MS 求助 (9/675) haixiao686 2011-06-02 2011-06-03 11:49:48 by zzy870720z
[MS] [已完结]能带    ( 1 2 ) (10/720) liuhongge1 2011-06-01 2011-06-03 08:43:48 by njuswj
[MS] [已完结]怎么在ms里构建氮气分子 (5/1127) michael1883 2011-06-02 2011-06-02 23:59:51 by njuswj
[MS] [已完结]ms中的结构构建 (3/1167) nanopg 2011-06-02 2011-06-02 22:55:02 by 贺仪
[MS] [已完结]请求构建团簇模型的程序 (4/1005) zhaojy008 2011-05-12 2011-06-02 20:57:03 by zhaojy008
[MS] castep 建模的掺杂问题    ( 1 2 ) (11/2222) mk1599 2011-04-22 2011-06-02 15:50:34 by dalongmao
[MS] 关于potential energy和migtion energy (1/710) wwgaochao 2011-06-02 2011-06-02 12:41:45 by ?@?笑笑
[MS] 【求助】castep计算出错，spin-polarized (2/1124) seek269 2010-12-11 2011-06-02 11:22:29 by seek269
[MS] 关于掺杂 (5/801) 460104898 2011-05-30 2011-06-02 10:32:37 by x163_yu
[MS] 【求助】这是什么问题啊？怎么解决？ (7/819) cailugang 2010-12-03 2011-06-02 09:31:05 by fengya0785
[MS] [已完结]Dmol (2/280) 一木一木 2011-06-01 2011-06-02 08:34:38 by nwx_ky
[MS] [已完结]MS用Dmol算出的结果 (1/279) 一木一木 2011-06-01 2011-06-01 22:52:35 by cg陈
[MS] [已完结]MS中的AC模块出现下列情况说明什么问题？ (0/836) xiaoyue1610 2011-06-01 2011-06-01 22:50:03 by xiaoyue1610
[MS] [已完结]求助！！！关于建立AMPS及分子优化的问题 (1/290) mijing1989 2011-06-01 2011-06-01 22:38:53 by mijing1989
[MS] [已完结][关贴]ms 中的properties中的Atomic Temperature factors是做什么用的 (金币≥1)(0/43) csyao 2011-06-01 2011-06-01 21:29:59 by csyao
[MS] [已完结][关贴]求助Al5Fe2晶胞构建 (0/221) txf10 2011-06-01 2011-06-01 20:56:24 by txf10
[MS] [已完结]关于磁矩μB的问题 (4/1987) juty136 2011-06-01 2011-06-01 20:52:17 by juty136
[MS] 【求助】MS5计算多次失败 (6/980) zzjzjnb 2010-11-28 2011-06-01 20:41:55 by lixiao85
[MS] 【求助】表面悬挂键问题 (5/2525) shelay 2011-04-14 2011-06-01 16:19:40 by reddyzyy
[MS] [已完结]如何计算分子动力学直径 (1/1852) 冬凌草8398 2011-06-01 2011-06-01 14:54:32 by 薛金祥
[MS] 【求助】能带结构 态密度图 电荷结构图以及光学性质分析    ( 1 2 ) (18/2946) x163_yu 2011-04-11 2011-06-01 13:30:04 by 小草阳
[MS] 【求助】用castep如何画出计算静电势分布 (11/3281) yaodu 2011-04-07 2011-06-01 11:22:50 by dujunhui
[MS] [已完结][关贴]帮助 (1/196) nwx_ky 2011-05-31 2011-06-01 10:34:41 by nwx_ky
[MS] [已完结]MS中的discover中的analysis是缺省的，是由于什么原因？ (4/678) xiaoyue1610 2011-05-31 2011-06-01 08:58:21 by wzbhit
[MS] [已完结][关贴]高金币求助三到数学题！(全答对者，优先者全得金币20起) (7/588) 端木青 2011-05-31 2011-06-01 08:44:06 by 水之源
[MS] [已完结]新手求助：建模如何给未饱和键全挂上H原子 (2/278) magichow 2011-05-31 2011-05-31 23:09:50 by magichow
[MS] [已完结]用DMol3 进行电子密度分析时，import显示为灰色，不能运行 (2/1140) zhxbaig 2011-04-23 2011-05-31 20:48:02 by rjrj1107
[MS] [已完结]请大家帮帮忙，看看这CASTEP结构优化怎么失败了    ( 1 2 ) (11/2328) Tea_Candy 2011-05-23 2011-05-31 16:43:42 by lixiao85
[MS] 收敛完成后，怎样判断其结果是合理的？ (6/751) Tea_Candy 2011-05-27 2011-05-31 16:32:39 by Tea_Candy
[MS] [已完结]MS能做反铁磁性的计算吗？比如想优化具有反铁磁性CuFeS2的几何结构，具体怎么做，有知 (0/638) lywhit 2011-05-31 2011-05-31 13:23:30 by lywhit
[MS] 【求助】关于DMOL中温度的设定问题 (2/633) hyliu0618 2009-10-07 2011-05-31 12:32:34 by yasistar
[MS] 【求助】MS5.0计算时需要联网吗 (5/1192) 飘在空中的雨 2011-04-05 2011-05-31 10:28:53 by zzy870720z
[MS] 有人做过MS的castep模块计算对内存的需求测试么 (0/501) chenweiguang 2011-05-31 2011-05-31 10:00:22 by chenweiguang
[MS] [已完结]求助：MS中计算结果能量应该取哪个 ？ (2/993) fangyongxinxi 2011-05-30 2011-05-31 09:20:22 by fangyongxinxi
[MS] [已完结]不同分子轨道对于特殊K点处的贡献情况分析。 (4/1051) zhaohscas1976 2011-05-30 2011-05-31 09:15:40 by jinzhulin000
[MS] [已完结]spin-resolved 指什么 (0/785) 韩D小希 2011-05-31 2011-05-31 08:48:21 by 韩D小希
[MS] [已完结]求助：MS计算过渡态中遇到的问题 (2/432) fangyongxinxi 2011-05-30 2011-05-31 08:23:14 by cash_ms
[MS] [已完结]用CASTEP计算的时候CPU占有率为0，没有CASTEP相关的进程 (0/324) dx0620 2011-05-30 2011-05-30 22:48:09 by dx0620
[MS] [已完结]MS4.0 license安装出错 (3/726) yshl7237 2011-05-30 2011-05-30 22:43:32 by wzbhit
[MS] 【求助】Castep计算结果完成后，MS就打不开了 (7/1434) lhjms 2010-05-29 2011-05-30 20:52:47 by mingflower
[MS] [已完结]TiO2表面 (1/225) weinazh 2011-05-30 2011-05-30 17:09:28 by zuozhijun5134
[MS] [已完结]在MS中怎样导出能带结构和态密度的图形 (2/1305) ljlnlj 2011-05-30 2011-05-30 16:58:37 by stefsui
[MS] 关于碳纳米管振动态密度分析问题 (3/1104) wdliwei 2011-05-23 2011-05-30 16:28:43 by xiamg
[MS] [已完结]请问ms哪个模块能算表面活性剂粘度啊？ (0/229) woshiqiube 2011-05-30 2011-05-30 13:02:05 by woshiqiube
[MS] [已完结]哪位仁兄做过压力下六角晶体的能带和态密度这方面的论文~求这方面的资料~ (0/184) wxxvip 2011-05-30 2011-05-30 12:15:27 by wxxvip
[MS] [已完结]这样的能带图怎么画 ？ (6/1809) yshl7237 2011-05-17 2011-05-30 11:57:04 by 火柴天堂7909
[MS] [已完结]优化计算出现错误求助 (0/165) stonesu 2011-05-30 2011-05-30 09:22:29 by stonesu
[MS] [已完结]关于MS中的问题？ (2/387) 444239852 2011-05-27 2011-05-29 16:33:01 by 444239852
[MS] [已完结]求助光学性质和态密度的关系 (9/1069) 263340380 2011-05-23 2011-05-29 09:52:57 by 263340380
[MS] [已完结]自洽计算（SCF）不收敛 参数应如何调呢？ (2/1070) gfunction 2011-05-25 2011-05-28 17:12:06 by gfunction
[MS] [已完结][关贴]MD模拟中指定晶向移动原子 (3/431) 673454360 2011-05-24 2011-05-28 15:13:16 by 673454360
[MS] 【求助】关于优化时对称性是否加入的问题 能量的选择问题 赝势的选择问题 (5/1798) 随心意 2010-12-01 2011-05-28 13:24:01 by 贺仪
[MS] [已完结]MS排序计算 (3/338) reveru 2011-05-27 2011-05-28 10:16:08 by zzy870720z
[MS] [已完结]MS运行错误 (0/160) alfalfaxc 2011-05-28 2011-05-28 07:40:39 by alfalfaxc
[MS] [已完结]包含局域态的带隙的计算 (0/427) ddang100 2011-05-27 2011-05-27 21:01:31 by ddang100
[MS] [已完结]求助：MS怎么建CO分子？ (2/1297) clwl 2011-05-27 2011-05-27 16:54:48 by clwl
[MS] [已完结]在 Materials-studio软件AC模块中计算之前，分子分子结构必须要先优化吗？ (3/1912) 萱月琪琪 2011-05-25 2011-05-27 16:14:26 by wzbhit
[MS] [已完结]怎么用MS 做介孔结构呢 (7/1747) 依菲儿 2011-05-26 2011-05-27 14:16:11 by souledge
[MS] [已完结]求助MS计算等问题 (6/630) xingshili 2011-05-25 2011-05-27 10:53:02 by xujc1983
[MS] [已完结]声子并行计算问题求助 (1/197) lzl8181 2011-05-26 2011-05-27 10:48:04 by xujc1983
[MS] [已完结]GdFeO3和BiFeO3中各原子分数坐标？ (3/1056) icsar 2011-05-26 2011-05-27 07:43:00 by fzx2008
[MS] [已完结][关贴]关于尖金石MgAl2O4的3D建模问题 (1/791) fxue2005 2011-05-26 2011-05-26 22:42:55 by fzx2008
[MS] CASTEP进行布居分析时遇到的问题 (3/1958) qiudong1009 2011-05-09 2011-05-26 17:12:18 by liuhongge1
[MS] 想用MS 画介孔结构的充放电图 (1/228) 依菲儿 2011-05-25 2011-05-26 14:24:42 by 依菲儿
[MS] [已完结]疑难杂症 (3/403) x163_yu 2011-05-20 2011-05-26 10:37:24 by lixiao85
[MS] [已完结]如何用castep计算掺杂改性后的TiO2八面体偶极距？ (1/559) 目光之城 2011-05-26 2011-05-26 10:24:31 by 目光之城
[MS] [已完结]用MS的DMOL优化结构不收敛，求助！！！！ (1/1372) xulisonghai 2011-05-26 2011-05-26 10:04:11 by lishufei
[MS] [已完结]用ms中CASTEP模块计算energy的phonon出错 (0/280) xiaoqiang0556 2011-05-26 2011-05-26 09:12:16 by xiaoqiang0556
[MS] [已完结]对晶体的Dmol频率分析的结果文件中总是出现虚频 (0/290) 一木一木 2011-05-26 2011-05-26 08:17:16 by 一木一木
[MS] 【求助】In2O3 (6/575) yueya9113 2010-05-26 2011-05-25 17:05:18 by chuyong
[MS] [已完结]关于态密度的问题？？？    ( 1 2 ) (13/1945) 444239852 2011-05-22 2011-05-25 16:30:00 by 444239852
[MS] [已完结]如何用MS5.5做修正？ (0/191) luoluoasdf 2011-05-25 2011-05-25 13:35:58 by luoluoasdf
[MS] [已完结]用materials studio的Dmol计算 (6/1339) 一木一木 2011-05-21 2011-05-25 11:26:52 by 一木一木
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