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[热点] 帮忙看看fileCode wwncly 2026-08-11 刚刚
[MS] [已完结]Fe的自旋应选多少？ (7/1710) crystalgirl1 2011-05-09 2011-05-13 10:56:39 by crystalgirl1
[MS] [已完结]收敛标准？ (评阅-4) (2/754) interwc 2011-04-24 2011-05-13 10:40:44 by 火柴天堂7909
[MS] 【求助】氧化还原势能否计算，如何计算？ (1/508) navyzhang 2011-03-24 2011-05-13 09:27:55 by navyzhang
[MS] [已完结]CASTEP能否计算富氧情况下的形成能？    ( 1 2 ) (14/2109) freshman8185 2011-05-09 2011-05-13 08:39:52 by freshman8185
[MS] [已完结]求助建模参数 (1ST强帖+1)(3/508) hecking 2011-05-12 2011-05-13 08:12:26 by hecking
[MS] 【求助成功】MS5.0中如何建立掺杂模型，谢谢 (2/649) jinbiandou 2011-04-08 2011-05-12 22:58:25 by mingflower
[MS] 【求助】demol能算差分电荷密度吗？ (7/1764) liuhuan2017 2010-04-25 2011-05-12 22:44:39 by cg陈
[MS] [已完结]影响扩散的因素 (2/594) linda6 2011-05-12 2011-05-12 20:46:59 by linda6
[MS] [已完结]怎么画DOS和PDOS图 (6/3073) wang1234wxj 2011-05-12 2011-05-12 20:17:31 by aray1577
[MS] [已完结]氧空位缺陷    ( 1 2 ) (12/2863) yoyo103108 2011-05-08 2011-05-12 18:50:30 by yoyo103108
[MS] [已完结]MS sorption 吸附等温线问题 (1/1216) binkwei 2011-05-12 2011-05-12 18:00:20 by hh19850402
[MS] [已完结]dmol计算一些团簇的光电性质，适合投稿哪里？ (金币≥5)(1/61) shengfengyu 2011-05-12 2011-05-12 17:08:45 by stractor
[MS] [已完结]有没有关于CASTEP计算中一些参数设置讨论的文章？ (0/361) freshman8185 2011-05-12 2011-05-12 16:57:20 by freshman8185
[MS] [已完结][关贴]有效质量求解啊，很急 (0/560) chenxiankai 2011-05-12 2011-05-12 16:14:09 by chenxiankai
[MS] [已完结]MS能否进行离子计算    ( 1 2 ) (1ST强帖+1) (金币≥10)(15/96) ahu1221 2011-05-10 2011-05-12 15:57:34 by sars518
[MS] [已完结]MS可以用来计算PET的结晶或者复合材料间的相互作用吗 (1/295) xingshili 2011-05-10 2011-05-12 15:05:38 by xingshili
[MS] 【求助】问一个很愚蠢的问题CASTEP可不可以用来计算物质的形成能？？？ (7/2060) pengjiutian 2011-04-14 2011-05-12 11:25:05 by dujunhui
[MS] [已完结]如何降低原子数？ (4/1081) coffey7835 2011-05-10 2011-05-12 10:12:55 by fu19871111
[MS] [已完结]错误分析！！！！ (评阅-1) (0/248) yoyo103108 2011-05-11 2011-05-11 23:43:35 by yoyo103108
[MS] [已完结]DMOL3 有没有电荷密度文件 (0/454) cg陈 2011-05-11 2011-05-11 23:11:31 by cg陈
[MS] 关于结构优化问题 (3/1346) wuyan070987 2011-05-11 2011-05-11 23:04:11 by cg陈
[MS] [已完结]计算出错 (2/628) yoyo103108 2011-05-07 2011-05-11 23:00:23 by yoyo103108
[MS] [已完结]dmol 提交任务时失败，求助 (0/384) smartcheng 2011-05-11 2011-05-11 21:19:30 by smartcheng
[MS] [已完结]求助MS的安装license问题 (1/1906) jllixiao 2011-05-10 2011-05-11 20:25:09 by bingmou
[MS] 【求助】请问如何处理同一位置上有两种原子的情况？ (3/774) mafei028 2010-04-25 2011-05-11 16:07:08 by ese
[MS] [已完结]dmol 可以算紫外可见光谱吗？ (金币≥5)(0/49) shengfengyu 2011-05-11 2011-05-11 14:48:01 by shengfengyu
[MS] [已完结][关贴]求助 (5/976) nwx_ky 2011-05-10 2011-05-11 10:00:47 by mika
[MS] [已完结]声子软化 (3/1219) true11 2011-05-09 2011-05-11 08:48:51 by true11
[MS] [已完结]关于石墨烯光学性质 (5/1795) lxj1989 2011-05-07 2011-05-10 22:01:47 by lxj1989
[MS] 不同的配置的电脑，收敛的迭代次数不同，能量计算结果也不同，可信么？ (6/2656) coffey7835 2011-05-09 2011-05-10 19:57:11 by coffey7835
[MS] [已完结]表面计算 (3/989) fagege2010 2011-05-10 2011-05-10 18:50:51 by shelay
[MS] [已完结]介孔炭建模 (0/207) alfalfaxc 2011-05-10 2011-05-10 15:31:36 by alfalfaxc
[MS] 【求助】ms5.5单机多核并行问题 (9/2372) ahu1221 2011-03-30 2011-05-10 14:05:46 by ahu1221
[MS] [已完结]小分子在金属表面吸附能 (金币≥2)(2/117) guillarte 2011-05-09 2011-05-10 13:46:56 by zhangfan2192
[MS] [已完结]关于K点选择与原子间的力 (9/2226) gfunction 2011-05-09 2011-05-10 12:39:47 by gfunction
[MS] 团簇频率的实验值和理论值相差多少合理? (0/366) yawen0215 2011-05-10 2011-05-10 10:50:40 by yawen0215
[MS] [已完结]ms软件中的Visualizer模块是要自己安装的吗？ (4/1390) xiaoyue1610 2011-05-09 2011-05-10 10:20:09 by xiaoyue1610
[MS] [已完结]表面计算时遇到问题请求各位帮忙~~ (1/288) physiclin 2011-05-10 2011-05-10 10:14:03 by physiclin
[MS] [已完结]关于CuInTe建模问题。 (3/996) 尹珺加油 2011-05-09 2011-05-10 10:13:56 by hecking
[MS] [已完结]doml3中如何判断收敛？    ( 1 2 ) (10/2270) cg陈 2011-05-08 2011-05-10 08:26:14 by hanpeng972
[MS] [已完结]Gaussian程序包与DMOL3中DNP基组的精确性比较 (2/3779) yuanfang4123 2011-05-09 2011-05-09 22:23:02 by cg陈
[MS] [已完结]求助CASTEP 自旋极化 (1/1400) 飘在空中的雨 2011-05-09 2011-05-09 22:09:53 by x163_yu
[MS] [已完结]讨论一下，大家认为比较合适用于含van der waals键体系的函数    ( 1 2 ) (12/2501) franch 2011-05-04 2011-05-09 21:09:18 by tangyuanlisa
[MS] [已完结]能带向下移动（即想能量低区移动）    ( 1 2 ) (10/2111) cf666 2011-05-04 2011-05-09 20:11:35 by cf666
[MS] [已完结]用MS中DMol3模块进行晶胞优化的问题 (2/1539) 学员paSMd8 2011-05-06 2011-05-09 15:15:28 by zwhgb
[MS] [已完结]求助态密度，能态结构计算。。 (1ST强帖+1)(5/944) cxchsz 2011-05-09 2011-05-09 14:03:17 by youzhizhe
[MS] [关贴]【求助】MS怎么计算dipole moment? (2/570) navyzhang 2011-03-21 2011-05-09 13:02:24 by yss2790
[MS] 如何降低原子数？ (0/438) coffey7835 2011-05-09 2011-05-09 09:35:51 by coffey7835
[MS] [已完结]求教各位大侠：我做沸石的离子交换模拟 (0/452) 海洋kissy 2011-05-09 2011-05-09 09:34:12 by 海洋kissy
[MS] 【求助成功】ICSD数据库    ( 1 2 ) (12/1752) liuhongge1 2010-09-02 2011-05-09 09:26:42 by hh19850402
[MS] [已完结]安装MS时遇到问题 求大家指教.....    ( 1 2 ) (15/1488) physiclin 2011-05-06 2011-05-09 09:18:34 by tangxian00
[MS] [已完结]请问discover模块如何导出定压比热容和比体积之类的，谢谢！ (0/294) Alice_0309 2011-05-09 2011-05-09 08:43:26 by Alice_0309
[MS] [已完结]有没有算过正交的石墨烯晶胞的，怎么算Dirac点 (1ST强帖+1)(4/2147) 韩D小希 2011-05-05 2011-05-09 08:01:44 by 韩D小希
[MS] [已完结]Castep计算能带失败 高手请帮助 (金币≥10)(1/90) yguangrui 2011-05-07 2011-05-08 21:49:05 by mazuju028
[MS] 请教一个关于MS里计算出的能带结构图的问题 (5/1703) Tea_Candy 2011-05-08 2011-05-08 15:18:04 by hgye
[MS] [已完结]出来的能带结构怎么会这样    ( 1 2 ) (13/2014) chenxiankai 2011-05-06 2011-05-08 15:15:02 by nextnest
[MS] [已完结]Dmol计算周期性结构怎样消除边界效应 (4/1352) yufengjiayou 2011-05-07 2011-05-08 11:07:28 by beefly
[MS] 【求助】Materials-studio可以搭建氧化铝模型吗 (5/1831) zhaogl 2010-12-31 2011-05-08 11:00:01 by zhangming341
[MS] 【求助】如何构建TiO2纳米管 (8/2013) xiaoling0916 2010-06-23 2011-05-08 10:01:55 by frank_zhan
[MS] 弹性性质批任务计算失败 (0/331) piao2004ha 2011-05-08 2011-05-08 09:37:21 by piao2004ha
[MS] [已完结]磁性的转化 (0/315) cf666 2011-05-07 2011-05-07 21:59:34 by cf666
[MS] [求助]请教，购买castep模块需要多少钱呀，有买过的给个参考，谢谢 (3/1227) ljjhb1 2011-04-19 2011-05-07 21:49:31 by 274273
[MS] [已完结][关贴]请求推荐文献LDA+U研究带隙，谢谢！ (0/271) 尹珺加油 2011-05-07 2011-05-07 21:00:10 by 尹珺加油
[MS] [已完结]DOS 分析 (1/560) yoyo103108 2011-05-07 2011-05-07 18:47:37 by aylayl08
[MS] 【求助】dmol3画PDOS (5/1534) scq123 2010-12-08 2011-05-07 15:36:35 by yufengjiayou
[MS] [已完结]表面缺陷 (2/676) yoyo103108 2011-05-06 2011-05-07 11:52:53 by hhp102
[MS] [已完结]建模求助 (0/276) 朱雪婷 2011-05-07 2011-05-07 11:25:59 by 朱雪婷
[MS] [已完结]求助！关于FM和AFM如何设置的问题 (3/1629) dragon0508 2011-05-07 2011-05-07 10:49:09 by dragon0508
[MS] [已完结]怎样进行Mulliken布局分布 (3/2123) zzjjungle 2011-05-05 2011-05-07 09:50:33 by yaodu
[MS] [已完结]如何利用MS计算硅中掺杂P\B形成P\N型Si的能带能级，如何掺杂，浓度又如何控制啊 (2/1185) jinjin77415 2011-04-21 2011-05-06 22:00:07 by jinjin77415
[MS] 结合能，， (4/996) mk1599 2011-04-28 2011-05-06 14:50:35 by 薛金祥
[MS] MS5 lisence问题 (2/321) wanders 2011-05-02 2011-05-06 10:59:32 by franch
[MS] [已完结]如何分析声子散射谱在G点的LO, TO分裂 (8/3527) liyiqun 2011-05-04 2011-05-05 22:13:42 by liyiqun
[MS] 【求助】如何模拟STM (1/1318) Binl 2010-08-03 2011-05-05 20:58:31 by franch
[MS] 【求助】基组重叠误差分析 (1/1027) pengge 2010-07-23 2011-05-05 20:55:00 by pengge
[MS] 【求助】收敛问题 (16/1970) crystalgirl1 2011-04-08 2011-05-05 20:35:04 by hhp102
[MS] [已完结]构建表面缺陷 (2/976) yoyo103108 2011-04-28 2011-05-05 20:25:07 by yoyo103108
[MS] [已完结]计算问题 (2/582) yoyo103108 2011-05-05 2011-05-05 19:59:49 by yoyo103108
[MS] [已完结]计算形成能要用到水的能量，请教各位 怎么计算水的能量 (1ST强帖+1)(8/2332) 韩D小希 2011-05-03 2011-05-05 15:21:54 by 韩D小希
[MS] 能否通过调整参数更改Dmol计算出来的态密度的能量范围？ (1/398) xiaojivan 2011-05-04 2011-05-05 10:20:39 by xiaojivan
[MS] 【求助】dmol中的overlap matrix (7/1384) wanglianli136 2010-06-05 2011-05-05 09:47:33 by yshl7237
[MS] 安装MS后计算时出现截图所示问题该怎么办 (金币≥1)(6/50) kong我就是我 2011-05-04 2011-05-05 09:23:08 by Tea_Candy
[MS] [已完结]紧急求助 (评阅-1) (1ST强帖+1) (金币≥1)(2/90) fagege2010 2011-05-04 2011-05-05 08:36:26 by fagege2010
[MS] [已完结]CASTEP 失败 (1/468) 飘在空中的雨 2011-05-04 2011-05-04 23:08:30 by bingmou
[MS] [已完结]MS计算合金参杂后局域结构（短程序）变化 (0/335) 风之梦 2011-05-04 2011-05-04 21:51:23 by 风之梦
[MS] [已完结]在MS中用哪个模块进行优化结构 (6/1661) 萱月琪琪 2011-04-26 2011-05-04 21:14:03 by xylz6188
[MS] 【求助】急需要解决的问题！请高手帮忙 (7/634) s20080718 2010-09-21 2011-05-04 16:13:48 by yaodu
[MS] 证书问题 (7/777) mk1599 2011-05-04 2011-05-04 14:23:33 by keanvi
[MS] [已完结]castep计算LiNH2的pdos，Li原子的pdos轨道 (0/607) bjdyadx 2011-05-04 2011-05-04 11:46:40 by bjdyadx
[MS] [已完结]怎么在CASTEP中一个晶格里元素的表面添加另一种晶格构建的表面？ (3/1487) jinzhulin000 2011-05-03 2011-05-04 10:02:06 by yaodu
[MS] [已完结]求查询原子自由能方法 (0/731) qiudong1009 2011-05-04 2011-05-04 09:29:00 by qiudong1009
[MS] [已完结]MS中如何模拟马氏体相变？ (2/494) seyou 2011-04-29 2011-05-04 08:40:50 by seyou
[MS] [已完结]MS计算问题 (0/341) yh3166 2011-05-03 2011-05-03 20:16:41 by yh3166
[MS] [已完结]建模 (0/341) xx2008 2011-05-03 2011-05-03 14:51:08 by xx2008
[MS] 【求助】为什么计算体系的lumo随电场增加徒然升高 (1/444) yanch000 2010-10-14 2011-05-03 10:43:53 by franch
[MS] 【求助】磁性对电荷转移的影响 (2/363) 薛金祥 2011-04-15 2011-05-03 08:51:27 by galiha
[MS] 【求助】对于周期性体系能做频率分析吗？ (1/413) daochunhan1327 2010-11-07 2011-05-03 08:20:35 by zsl_321123
[MS] 【求助】CASTEP中怎样构建晶体聚合物呢？ (3/771) qiaobo 2010-11-03 2011-05-02 21:42:17 by franch
[MS] 【求助】做半导体能带计算时要不要选中metal? (31/5090) lbambool 2011-04-02 2011-05-02 20:06:05 by x163_yu
[MS] [已完结]求助：CASTEP计算中 Metal 选项的作用 (5/3927) pengjiutian 2011-04-21 2011-05-02 19:49:16 by x163_yu
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