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[热点] 天津大学招2026.09的博士生,欢迎大家推荐交流(博导是本人) a793625982 2026-02-10 刚刚
[MS] 【求助】在能带图上标出不同轨道? (2/316) freshman8185 2010-12-17 2010-12-19 09:35:11 by freshman8185
[MS] 【其他】[讨论] 如何计算(如图) (0/210) aibude163 2010-12-18 2010-12-18 23:51:31 by aibude163
[MS] 【求助】有没有氧化物相图生成软件 (0/474) liujie1003 2010-12-18 2010-12-18 21:59:00 by liujie1003
[MS] 【求助】MS50安装的问题 (0/266) boylc789 2010-12-18 2010-12-18 21:10:37 by boylc789
[MS] 【求助】"gateway time out" (4/958) anothermomo 2010-12-17 2010-12-18 19:37:06 by anothermomo
[MS] 【求助】帮忙看一下这幅图!!! (5/745) wydzyx2003 2010-12-13 2010-12-18 14:36:32 by chenjerry
[MS] 【求助】请教楼主 (4/566) cocoling 2010-12-18 2010-12-18 13:45:08 by xisogr
[MS] 【求助】ICSD 数据库加密了怎么办 (1/513) Excaliburn 2010-12-18 2010-12-18 11:53:03 by lbambool
[MS] 【求助】population 计算完之后 分析的时候点assign 可是没什么变化? (1/286) Excaliburn 2010-12-18 2010-12-18 11:52:06 by lbambool
[MS] 【求助】MS5.0无法启动,求高人解答啊。 (16/1506) leehb870605 2010-12-16 2010-12-18 09:31:04 by chenjerry
[MS] 【求助】castep 计算的时候怎么查看每一步and 如何判断是否收敛 (1/1087) Excaliburn 2010-12-17 2010-12-17 23:50:03 by ym23
[MS] 【求助】castep报错但是依然开始,报错信息仅显示感叹号。求指点 (0/277) ride138 2010-12-17 2010-12-17 23:23:43 by ride138
[MS] 【求助】MS 并行计算 (2/598) sss3012 2010-12-17 2010-12-17 19:08:04 by lbambool
[MS] 【求助】求国内做有关钢铁的第一性原理的牛人 (1/460) ysdxkangjie 2010-12-17 2010-12-17 15:19:18 by quantum999
[MS] 【求助】dmol中计算反应活化能该使用哪种能量呢? (0/370) charityqi 2010-12-17 2010-12-17 11:21:55 by charityqi
[MS] 【求助】dmol单个原子能量计算 (0/1296) cf666 2010-12-17 2010-12-17 10:38:02 by cf666
[MS] 【求助】表面吸附 (4/391) xfy0423 2010-12-16 2010-12-17 10:23:21 by 心宁
[MS] 【求助】计算的单原子能与文献中不同 (2/441) sunspota 2010-12-16 2010-12-16 23:07:30 by stractor
[MS] 【求助】如何将晶体里的原子换成分子?MS (4/391) sikasun 2010-12-10 2010-12-16 22:21:57 by wjq870708
[MS] 【求助】castep计算中EOS拟合 (4/1004) wzh上善若水 2010-12-15 2010-12-16 21:01:44 by wzh上善若水
[MS] 【求助】求助Dmol3的教程资料或者学习资料 (1/432) wang1234wxj 2010-12-16 2010-12-16 18:32:34 by lzl8181
[MS] 【求助】帮忙看一下这个电荷密度怎么回事??    ( 1 2 ) (15/1392) xuelian172 2010-11-24 2010-12-16 17:48:18 by 274273
[MS] 【求助】晶型预测 (0/461) mountwar 2010-12-16 2010-12-16 14:51:33 by mountwar
[MS] 【求助】bond volume (0/187) ynhebibo 2010-12-16 2010-12-16 14:20:45 by ynhebibo
[MS] 【求助】MS求晶格常数,样品有顺磁性怎么优化啊 (0/201) wuhen997 2010-12-16 2010-12-16 14:02:54 by wuhen997
[MS] 【求助】如何分析dmol得到的电势分布图 (0/222) shengfengyu 2010-12-16 2010-12-16 11:10:20 by shengfengyu
[MS] 【求助】请问下nickel和YSZ的Interfacial energy的求法 (0/395) gasam 2010-12-16 2010-12-16 11:09:06 by gasam
[MS] 【求助】全电子计算 (0/899) xf8349756 2010-12-16 2010-12-16 10:07:29 by xf8349756
[MS] 【求助】MS5.5安装出错,请大侠指点。    ( 1 2 ) (10/1788) qgqgrm 2010-12-10 2010-12-16 09:05:25 by huweny87
[MS] 【求助成功】请教这样的结构如何创建 (8/622) xk6891 2010-12-14 2010-12-16 00:07:46 by xk6891
[MS] 【求助】ms中如何去除晶体中的一个原子并用其它原子去替代    ( 1 2 ) (10/3375) ahu1221 2010-12-15 2010-12-15 18:41:47 by lbambool
[MS] 【求助】如何用ms来算晶体表面态 (2/369) ahu1221 2010-12-15 2010-12-15 15:30:19 by ahu1221
[MS] 【求助】求助能级的贡献 (0/142) xmcgw 2010-12-15 2010-12-15 14:47:19 by xmcgw
[MS] 【其他】版权问题 (5/846) aliceyu 2010-12-15 2010-12-15 14:41:48 by feass2
[MS] [关贴]【求助】MATLAB画MS等势线的梯度问题 (评阅-2) (1/378) shengfengyu 2010-12-14 2010-12-15 13:24:25 by shengfengyu
[MS] 【分享】量化软件中的基组简介 (11/1754) study163 2009-04-22 2010-12-15 08:57:10 by 562931235
[MS] 【求助】计算聚合物中的氢键 (2/453) qiaobo 2010-11-29 2010-12-15 08:08:43 by fyz_ok
[MS] 【求助】windows server 2003 下 MS5.0 CPU运行效率问题 (6/1328) stray07 2010-10-12 2010-12-15 00:34:28 by lbambool
[MS] 【求助】请问各位大虾,对于纳米晶怎样在MS下输出其所包含原子的坐标位置? (0/252) liwh1990 2010-12-14 2010-12-14 20:58:34 by liwh1990
[MS] 【求助】请问:Dmol3 默认温度是多少    ( 1 2 ) (10/1611) zhouzhongjunzzj 2009-07-21 2010-12-14 15:36:45 by 278036903
[MS] 【求助】dmol3优化计算团簇的温度应该是多少 (评阅+1) (4/1214) nantian112 2009-11-13 2010-12-14 15:29:53 by 278036903
[MS] 【求助】请问MS5.5安装(下载该论坛的MS5.5) (6/1575) 涅磐BornFirn 2010-12-12 2010-12-13 22:08:09 by akun22951
[MS] 【求助】怎么用ms构建包覆过程的模型啊??? (2/650) wb52 2010-12-06 2010-12-13 18:19:13 by wb52
[MS] 【求助】MS中discover模块中scattering structure function如何分析 (1/363) liaoliqiong 2010-12-13 2010-12-13 12:35:10 by cg陈
[MS] 【求助】急需帮忙 (5/719) convenient 2010-12-12 2010-12-13 12:10:31 by xiaohunhun
[MS] 【求助】CASTEP和DMOL3中的Dynamic的差别? (1/708) houfeifan 2010-12-13 2010-12-13 12:00:02 by zzy870720z
[MS] 【求助】Atomic Populations怎么分析啊 (0/284) wzh上善若水 2010-12-13 2010-12-13 10:33:08 by wzh上善若水
[MS] 【求助】想请问各位大虾,Dmol3可不可以两个任务一起运行啊,我用的是4核的DELL工作站 (7/1070) liwh1990 2010-12-11 2010-12-13 09:35:16 by liwh1990
[MS] 【求助】Dmol3 (4/1111) guohui_Hao 2010-12-10 2010-12-12 18:30:47 by guohui_Hao
[MS] 【求助】ELNES和XANES (1/862) dlthl 2010-12-12 2010-12-12 14:50:07 by 锐利的碎片
[MS] 【求助】如何安装MS (2/342) Jackqiqi 2010-12-11 2010-12-12 09:31:52 by lbambool
[MS] 【求助】关于MS5.0中DMol3的gateway的问题 (2/585) lgl615427 2010-12-11 2010-12-11 23:02:34 by lbambool
[MS] 【求助】怎样使用HOMO,LUMO分析 (7/2231) wang1234wxj 2010-12-10 2010-12-11 22:21:49 by 阚敏
[MS] 【求助】请问怎样进行介观模拟 (0/179) tianya0108 2010-12-11 2010-12-11 15:54:22 by tianya0108
[MS] 【求助】materials studio的重新安装出错 (3/920) reveru 2010-12-10 2010-12-11 09:25:14 by hbhehe
[MS] 【求助成功】AmorphousCellConst 无定形晶胞构建时出错,求助解决方法,谢谢 (4/2440) fly771125 2010-11-05 2010-12-11 03:01:07 by fly771125
[MS] [关贴]【分享】天津大学材料科学基础 (1/346) hbcsucy 2010-11-21 2010-12-11 00:21:59 by niuroumian
[MS] 【求助】如何研究过度金属团簇吸附小分子? (3/1066) hhuwanghui 2010-12-10 2010-12-11 00:06:16 by ym23
[MS] 【求助成功】求ms安装建议    ( 1 2 ) (10/1351) flymice 2010-10-01 2010-12-10 16:48:28 by flymice
[MS] 【求助】MS中如何把一个小分子插入到另一个分子结构图中? (0/640) sendy 2010-12-10 2010-12-10 11:14:15 by sendy
[MS] 【求助】费米能级相关问题求助 (6/1265) zhanglx8632 2010-10-25 2010-12-10 09:52:53 by guolianshun
[MS] 【求助】linux 系统 (5/948) sss3012 2010-12-08 2010-12-10 00:16:40 by xujc1983
[MS] 【求助】MS不能提交声子谱计算 (0/782) qx08131989 2010-12-09 2010-12-09 20:16:03 by qx08131989
[MS] 【求助】castep计算dos时,怎么计算某个原子的分波态密度? (2/1313) sendy 2010-12-09 2010-12-09 19:52:11 by yqfan
[MS] 【求助】关于分数坐标! (4/1659) wh_xy 2010-12-08 2010-12-09 19:32:05 by bingmou
[MS] 【求助成功】求问一个ms5.0的问题 (2/410) flymice 2010-12-08 2010-12-09 18:38:31 by flymice
[MS] 【求助】graphene结构怎么建 (1/258) whiteman 2010-12-09 2010-12-09 15:49:18 by lovemoon
[MS] 【求助】dmol 画PDOS (0/180) lxrui 2010-12-09 2010-12-09 14:56:03 by lxrui
[MS] 【求助】求问ms用本机算和用服务器的区别? (2/423) flymice 2010-12-08 2010-12-09 13:36:05 by boylc789
[MS] 【求助】MS5.5的License问题 如何安装??? (6/2497) 稔孑 2010-11-18 2010-12-09 10:18:49 by sendy
[MS] 【求助】自旋电荷密度 (0/1092) sss3012 2010-12-09 2010-12-09 08:59:30 by sss3012
[MS] 【求助】dmol得到的**.grd结果怎么用origin作图 (0/766) shengfengyu 2010-12-08 2010-12-09 08:27:22 by shengfengyu
[MS] 【求助】Gulp 几何优化后结构没变化 (0/224) ym23 2010-12-08 2010-12-09 08:25:23 by ym23
[MS] 【求助】linux下安装MS (2/667) sunzhiguo 2010-12-08 2010-12-08 22:21:32 by zzy870720z
[MS] 【求助】请问如何从态密度上看共价键成分占多少,离子键成分占多少    ( 1 2 ) (15/4119) chunying 2009-08-30 2010-12-08 21:09:33 by nextnest
[MS] 【求助】NaY建模问题 (3/638) sunzhiguo 2010-11-14 2010-12-08 14:54:36 by sunzhiguo
[MS] 【求助】聚合物与金属氧化物的相互作用计算问题 (3/1243) lavinia 2009-10-15 2010-12-08 10:28:51 by cg陈
[MS] 【求助】吸附的疑惑 (5/1101) liuhongge1 2010-12-07 2010-12-08 08:56:02 by vv_china
[MS] 【求助】Materials Studio linux版 license sever的系统配置文件放在什么位置 (2/473) suyi20466975 2010-10-21 2010-12-07 18:39:08 by suyi20466975
[MS] 【求助】间隙原子对半导体光电性能的影响? (0/250) freshman8185 2010-12-07 2010-12-07 18:03:49 by freshman8185
[MS] 【求助】MS4.3在服务器上的使用问题 (15/1916) shelay 2010-12-06 2010-12-07 17:46:17 by shelay
[MS] 【求助】castep隐藏文件的问题 (3/691) gengw07 2010-12-07 2010-12-07 14:13:53 by ustbwgs
[MS] 【求助】CASTEP中GGA的适用范围 (2/517) dlthl 2010-12-06 2010-12-07 11:46:43 by ym23
[MS] 【求助】nudged elastic band 在CASTEP里怎么实现 (2/917) liuhongge1 2010-11-05 2010-12-06 21:56:57 by lishufei
[MS] 【求助】CASTEP计算缺陷时 (1/504) dlthl 2010-12-06 2010-12-06 18:38:25 by bashen1
[MS] [专家] 【求助】如何使用CASTEP计算相稳定 (5/990) souledge 2010-12-06 2010-12-06 18:27:25 by souledge
[MS] 【求助成功】CCDC+MS输入的问题(求大侠们帮忙) (9/1220) yasistar 2010-11-25 2010-12-06 18:26:17 by yasistar
[MS] 【求助】ms算荧光效率 (0/334) scq123 2010-12-06 2010-12-06 17:19:40 by scq123
[MS] 【求助】请问MS哪个模块可以算熔点? (3/647) ym23 2010-12-06 2010-12-06 16:32:22 by 锐利的碎片
[MS] 【求助】MS5.0计算能带出现问题! (2/646) nextnest 2010-12-06 2010-12-06 15:35:09 by nextnest
[MS] 【求助】单点能与结构优化的最低能的关系 (5/2678) pingping6396 2009-09-21 2010-12-06 10:52:26 by xiaoqian830606
[MS] 【求助】请问我在计算电荷密度的时候怎么把下面图中的切片搞出来? (4/965) wyez 2010-12-05 2010-12-05 18:37:43 by sunyang1988
[MS] 【求助】MS 优化选取晶胞还是原胞 (2/2226) heihu120 2010-12-05 2010-12-05 17:49:43 by heihu120
[MS] 【求助】Li2Ti2O4如何建模 (0/499) lywhit 2010-12-05 2010-12-05 15:31:11 by lywhit
[MS] 【求助】ms4.0 linux版 下批处理    ( 1 2 ) (14/1377) lishufei 2010-05-18 2010-12-05 11:10:24 by lishufei
[MS] 【求助】使用DMOL3出现这个问题 求解 (1/441) cg陈 2010-12-04 2010-12-04 22:20:22 by lbambool
[MS] 【求助】MS 安装问题 (1/579) luobenhua 2010-12-04 2010-12-04 19:07:55 by mountwar
[MS] 【求助】MS中局域态密度的计算 (3/2294) limin2007 2010-12-04 2010-12-04 18:00:41 by lzl8181
[MS] 【求助】ubuntu下安装MS (3/894) guohui_Hao 2010-12-04 2010-12-04 17:31:18 by nextnest
[MS] 【求助】castep晶格参数问题 (1/674) wzh上善若水 2010-12-04 2010-12-04 12:14:12 by cash_ms
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