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[热点] 有院领导为了换新车,用横向课题经费买了俩车 瞬息宇宙 2026-02-09 刚刚
[MS] [已完结]为什么做出来的TiO2 DOS图导带不劈裂 (1/252) 飘在空中的雨 2011-08-29 2011-08-29 16:38:55 by buct2010
[MS] [已完结]ms软件 分子筛 分离 (0/240) binkwei 2011-08-29 2011-08-29 11:20:00 by binkwei
[MS] 【求助】Castep模块的LDA计算中pressure是用什么algorithm加上的 (5/806) ly958 2011-04-08 2011-08-29 11:00:51 by 哥是传说
[MS] castep 计算设置! (6/1610) zhengjifine 2011-08-21 2011-08-29 10:39:00 by 哥是传说
[MS] [已完结]能带计算用原胞还是单胞? (3/2667) xtrlcj 2011-08-22 2011-08-29 10:34:10 by 哥是传说
[MS] [已完结]求助:CO在金属氧化物表面为什么是O上C下 (1/317) aa644387857 2011-08-28 2011-08-28 19:27:38 by cavediger
[MS] [已完结]态密度问题-- (0/211) luobenhua 2011-08-28 2011-08-28 16:53:24 by luobenhua
[MS] [已完结][关贴]DMOL3 种 Empty band 的设置问题 (3/859) hh19850402 2011-08-27 2011-08-28 09:29:55 by hh19850402
[MS] [已完结]石墨烯 构型优化失败 求高手指点迷津 不胜感激 (1/1146) mypursuit 2011-08-28 2011-08-28 09:27:19 by mypursuit
[MS] [已完结]对原胞进行结构优化时 要make P1 取消其对称性么? (8/4210) 韩D小希 2011-08-25 2011-08-27 20:59:43 by cg陈
[MS] [已完结]如何在MS详细计算磁矩? (0/2184) li_jinchun 2011-08-27 2011-08-27 18:48:39 by li_jinchun
[MS] [已完结]DMOL3计算DOS的设置问题 (0/550) hh19850402 2011-08-27 2011-08-27 16:50:45 by hh19850402
[MS] [已完结]linux下利用DMOL3计算-写脚本 (0/1008) lxrui 2011-08-27 2011-08-27 13:14:40 by lxrui
[MS] [专家] [已完结]计算光学性质的剪刀差如何确定? (3/1083) dxcharlary 2011-08-26 2011-08-27 10:15:36 by buct2010
[MS] [已完结]做得图导出的图片为什么分辨率很低?怎么改进 (4/1806) jfli 2011-08-26 2011-08-26 19:23:27 by sunupper
[MS] [已完结]Mn2+的价电子没有p态的电子,为什么我算出来的PDOS图中有p电子的峰呢? (5/1531) mingflower 2011-06-15 2011-08-26 14:48:02 by identation
[MS] castep计算得到的PDOS (2/439) 学员R4ywV3 2011-08-26 2011-08-26 14:33:53 by zdsk
[MS] [已完结]如何从电子云上看出是共价键还是离子键 (2/1832) 李佳佳佳 2011-08-25 2011-08-26 13:41:59 by 李佳佳佳
[MS] [color=Yellow]【求助】如何确定晶格大小[/color] (4/896) 萱月琪琪 2011-04-10 2011-08-26 10:59:28 by 萱月琪琪
[MS] Castep 里面 Find Symmetry怎么用 (3/1903) aa644387857 2011-08-24 2011-08-25 17:33:34 by aa644387857
[MS] 算过渡金属的单原子能量 (7/2117) slogger 2011-07-17 2011-08-25 16:50:44 by slogger
[MS] [已完结]怎么计算过渡金属Cr的单个原子的能量 (4/1528) slogger 2011-08-02 2011-08-25 16:49:16 by slogger
[MS] [已完结]算电荷差分时的选项 (3/471) slogger 2011-08-04 2011-08-24 21:33:43 by frank_zhan
[MS] 【求助】gaussian 收敛 (2/422) mountwar 2011-03-21 2011-08-24 17:21:57 by ellemiu
[MS] [已完结]请教:dmol3模块中,金属/陶瓷异相界面结构的约束设置 (0/184) det_love 2011-08-24 2011-08-24 15:59:01 by det_love
[MS] [已完结]求助如何在建模的时候添加饱和氢键?悬赏金币5个 (0/374) 期待和angel 2011-08-24 2011-08-24 15:23:24 by 期待和angel
[MS] [已完结]在CASTEP 中如何画电子电荷密度图(electronic charge density) (1/679) piao2004ha 2011-08-22 2011-08-24 15:07:50 by luobenhua
[MS] [已完结]优化结构的时候Max.displacement 不收敛是什么原因啊 (1/1956) louazhao 2011-08-22 2011-08-24 15:00:06 by luobenhua
[MS] 【求助】计算两种相的界面 (3/485) wanders 2011-03-18 2011-08-24 10:35:12 by hh19850402
[MS] 【求助】费米面 (3/1411) liangping3881 2010-10-09 2011-08-23 19:10:14 by humeng0811
[MS] [已完结]MS分析不同卤素取代杯4吡咯在溶液中的不同 急 (1/469) sun_kl66 2011-05-06 2011-08-23 19:07:43 by 重楼寻相思
[MS] 【求助】求spin-unstricted 解析 (2/1063) guohui_Hao 2010-12-11 2011-08-23 18:44:59 by 重楼寻相思
[MS] [已完结]离子吸附 (3/367) nwx_ky 2011-08-06 2011-08-23 16:05:35 by nwx_ky
[MS] [已完结]替换晶体中的基团    ( 1 2 ) (11/1607) 贺仪 2011-08-15 2011-08-23 15:09:22 by 贺仪
[MS] [已完结]MS5.5的license装不上去,如何解决 (5/1696) vincent2376 2011-08-21 2011-08-23 14:44:11 by youzhizhe
[MS] [已完结]ms中discover做setup出错 (1/547) 量化新手 2011-08-18 2011-08-23 12:58:52 by xujc1983
[MS] 【求助】Dmol3进行全电子计算ZnO掺杂 (3/794) xf8349756 2011-03-11 2011-08-23 12:13:03 by frank_zhan
[MS] [已完结]计算声子谱出问题,求助怎么回事 (0/499) 随心意 2011-08-23 2011-08-23 10:09:37 by 随心意
[MS] [已完结]求助牛人 (3/243) 553131136 2011-08-22 2011-08-23 09:00:53 by 553131136
[MS] [已完结]MS能带横坐标的怎么标注 (8/1486) 李翔1986 2011-08-21 2011-08-22 21:32:16 by zdsk
[MS] [已完结]怎么用MS算小分子的吸附 (1/999) qi-cheng 2011-08-11 2011-08-22 21:16:51 by 重楼寻相思
[MS] 【分享】能带分析来看金属、半导体还是绝缘体 (评阅+1) (7/2563) guolianshun 2010-09-25 2011-08-22 15:58:53 by tider
[MS] [已完结][关贴]licence的问题,求帮助 (1/818) yh3166 2011-05-19 2011-08-22 09:36:33 by scorn319
[MS] castep的energy cutoff设置能否改变运算中使用的内存大小 (3/2005) scq123 2011-05-19 2011-08-22 09:25:16 by gaojunfeng83
[MS] [已完结]DMOL3 设置问题 (6/1470) zhuzisummer 2011-08-18 2011-08-22 09:23:59 by zhuzisummer
[MS] [已完结]castep 计算过度金属掺杂ZnO磁性问题!! (5/1838) zhengjifine 2011-08-21 2011-08-21 22:14:53 by encke
[MS] 聚合物模拟 (0/226) zhangzhiga 2011-08-21 2011-08-21 13:31:35 by zhangzhiga
[MS] [已完结]关于MS5.5 关于P1对称性    ( 1 2 ) (13/1539) 飘在空中的雨 2011-08-17 2011-08-21 13:24:03 by 飘在空中的雨
[MS] [关贴]【分享】ms5.0安装方法(客服提供)已修改,测试可用,喜欢下载!! (29/4341) hzfish 2010-04-11 2011-08-21 10:10:57 by pipi
[MS] [已完结][关贴]声子谱计算问题 (0/277) qx0813 2011-08-21 2011-08-21 09:01:14 by qx0813
[MS] [已完结]MS计算,求懂电脑配置的帮忙 (7/2251) 飘在空中的雨 2011-08-02 2011-08-20 22:49:40 by zdsk
[MS] [已完结]模拟X射线衍射 (7/1402) 李佳佳佳 2011-08-19 2011-08-20 15:04:03 by ahehyh
[MS] [已完结]CASTEP 运行出错 (1/682) ujqt007 2011-05-14 2011-08-20 14:23:44 by zdsk
[MS] [已完结][关贴]CASTEP优化出错 (4/1183) qiudong1009 2011-05-25 2011-08-20 14:23:17 by zdsk
[MS] [已完结]在Dmol3里怎么利用mulliken population计算和分析电荷的转移 (3/3019) frank_zhan 2011-08-17 2011-08-20 12:00:56 by zhuzisummer
[MS] [已完结]discover 模块能计算加电荷么? (0/150) 不是人间焰火 2011-08-19 2011-08-19 15:32:11 by 不是人间焰火
[MS] Spin(har)是代表什么? (3/894) zdsk 2011-08-18 2011-08-19 14:21:11 by zdsk
[MS] [已完结][关贴]ms中导入含几个氨基酸残基的文件,用discover做minimization出错 (4/1259) 量化新手 2011-08-18 2011-08-19 08:45:27 by 量化新手
[MS] DPD模拟微相半径如何求呢 (0/198) 466902981 2011-08-18 2011-08-18 17:25:17 by 466902981
[MS] [已完结]在CASTEP中K-point数量测试疑问 (0/1025) yangger 2011-08-18 2011-08-18 17:10:27 by yangger
[MS] 【求助】现在大半径碳纳米管的掺杂 建立超胞要计算多少个原子 (5/788) zhanglx8632 2011-04-10 2011-08-18 16:11:26 by mengnan0501
[MS] [已完结]形成能为正值计算没有意义吗 (2/1433) zhuguomin1 2011-08-17 2011-08-18 10:01:34 by googledreams
[MS] 大家建立晶胞是直接导入MS自带的,还是自己手工建立? (2/528) 飘在空中的雨 2011-08-17 2011-08-17 21:50:26 by 飘在空中的雨
[MS] [已完结]十六烷基三甲基溴化铵的分子模型如何建立 (0/185) fyz_ok 2011-08-17 2011-08-17 17:16:28 by fyz_ok
[MS] [已完结]分析结合能 (4/771) nwx_ky 2011-07-17 2011-08-17 16:41:36 by nwx_ky
[MS] [已完结]ms 建模 rebuilt-crystal后 的灵异事件 (5/625) 大果子2010 2011-08-16 2011-08-17 16:36:43 by 大果子2010
[MS] [已完结]怎么计算电荷转移的数量值 (5/4957) slogger 2011-08-01 2011-08-17 16:32:01 by frank_zhan
[MS] [已完结]表面吸附 (1/307) zhouyj999 2011-08-17 2011-08-17 15:04:41 by huazhorg
[MS] [已完结]选择“use formal spin as inital”计算后,优化完的结果怎么看它的自旋多重度 (8/1222) buddy_84 2011-08-13 2011-08-17 10:54:00 by buddy_84
[MS] [已完结]求ms5.5能用的license!! (1ST强帖+1)(9/1589) ljh-000 2011-08-03 2011-08-17 10:37:46 by zdsk
[MS] 吸附和负载是一样的吗? (1/875) 飘在空中的雨 2011-08-15 2011-08-16 23:11:33 by feass2
[MS] [已完结]DMol3 常用设置问题 (2/1479) zhuzisummer 2011-08-15 2011-08-16 15:09:54 by zhuzisummer
[MS] 如何采用第一性原理计算H原子在Cr2O3晶体表面的吸附和在晶体中的扩散 (7/2129) yqhkevin 2011-08-09 2011-08-16 10:30:34 by yqhkevin
[MS] [已完结]Dmol计算FITC分子的optics总是内存不够 (1/359) 石头2726 2011-08-15 2011-08-15 19:36:56 by uuv2010
[MS] 【求助】关于过渡态和热力学性质 (4/1035) emma82 2010-07-15 2011-08-15 19:31:59 by uuv2010
[MS] [已完结]计算时metal 的设置 (5/853) 飘在空中的雨 2011-08-02 2011-08-15 16:39:27 by rll
[MS] [已完结]CASTEP计算出来的TiO2 DOS图导带部分不劈裂 (1/308) 飘在空中的雨 2011-08-15 2011-08-15 15:27:48 by bashen1
[MS] [已完结]MS建模时如何将两个structure按照自己的意愿连接起来 (5/1550) vaspstudy 2011-08-13 2011-08-15 11:17:14 by vaspstudy
[MS] [已完结]正交的石墨烯如何画 (0/771) pzhlaiqi 2011-08-14 2011-08-14 13:44:08 by pzhlaiqi
[MS] [已完结]MS多面体构建失败 (4/1365) yeahnet 2011-08-13 2011-08-14 09:19:58 by sunyang1988
[MS] [已完结]CASTEP计算半导体是否使用metal选项 (6/2526) eyreqiao 2011-06-17 2011-08-13 13:17:07 by QuenZ
[MS] [已完结]有没有人用ms计算过蛋白质啊,结果怎么样 (0/218) 量化新手 2011-08-12 2011-08-12 20:26:49 by 量化新手
[MS] MS-CASTEP-计算总时间 (1/222) zjj760120 2011-08-10 2011-08-12 19:58:06 by zdsk
[MS] [已完结]MS中Castep,计算绝缘体的一些设置问题 (1ST强帖+1)(2/1664) 宏hong 2011-05-31 2011-08-12 19:39:12 by zdsk
[MS] [已完结]关于population analysis计算的错误信息 (0/824) dlthl 2011-08-12 2011-08-12 10:01:44 by dlthl
[MS] [已完结]分子结构建立软件? (0/373) sss3012 2011-08-11 2011-08-11 23:57:12 by sss3012
[MS] [已完结]那位高手能告诉我In2O3的cif文件。 (2/462) icsar 2011-08-11 2011-08-11 19:35:15 by icsar
[MS] 【求助】关于MS计算得到的总能问题 (5/835) llg1987 2011-04-13 2011-08-10 15:50:11 by zdsk
[MS] 【求助】(energies not corrected for finite basis set) ?? (15/3194) muzi1984 2011-03-08 2011-08-10 15:49:02 by zdsk
[MS] 关于CASTEP的几何优化的两个疑惑。希望大家一起讨论讨论 (6/2179) Tea_Candy 2011-08-07 2011-08-10 10:43:03 by dxcharlary
[MS] [已完结][关贴]ms中Amorphous Cell模块使用时出现以下问题,请帮帮忙啊 (0/1299) 量化新手 2011-08-09 2011-08-09 21:50:16 by 量化新手
[MS] [已完结]如何分析castep计算得到的光学性质图谱 (4/2419) guolianshun 2011-06-07 2011-08-09 21:18:47 by seekerboy
[MS] [已完结]提交到服务器上工作,马上断了,显示License的问题。ms5.0上计算    ( 1 2 ) (14/2271) 量化新手 2011-07-21 2011-08-09 14:29:39 by 量化新手
[MS] 【求助】MS 5.5 安装完毕后,计算时失败 (10/2133) nnwang 2011-03-18 2011-08-09 10:03:48 by 安德
[MS] [已完结]利用MS里的Dmol模块搜索过渡态不收敛 (5/1423) cshcgy 2011-08-07 2011-08-09 09:33:56 by cshcgy
[MS] [已完结]MS可以做电子传输模拟吗?用哪个模块可以做呢? (1/286) zhangw_bxx 2011-05-24 2011-08-08 17:24:16 by kugou521
[MS] [已完结]initial spin 问题! (2/731) yoyo103108 2011-08-04 2011-08-08 17:24:11 by uuv2010
[MS] [已完结]电荷缺陷形成能? (0/784) sss3012 2011-08-08 2011-08-08 12:39:25 by sss3012
[MS] [已完结]求助Forcite模块的相关文献 (0/354) 李翔1986 2011-08-08 2011-08-08 11:45:44 by 李翔1986
[MS] 【求助】MS的help里关于用CBMC的一句话看不懂 (1/458) hukd 2011-03-11 2011-08-06 16:24:04 by 咖啡喝不醉
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