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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 2026-02-09 刚刚
[MS] [已完结]求助?Linux下MS5.5licence安装 (0/160) wjf891114 2012-03-24 2012-03-24 21:27:49 by wjf891114
[MS] [已完结]DMOL3初学者诚心请教 (1/247) ning_8023cui 2012-03-23 2012-03-23 16:00:08 by ning_8023cui
[MS] [已完结]ms集群安装出现的问题。 (7/1168) mazuju028 2012-03-21 2012-03-23 14:44:02 by mazuju028
[MS] [已完结]出现Calculate dielectric function: Failed to create document是怎么回事? (2/547) wuguohao111 2012-03-21 2012-03-23 12:59:37 by wds_3817
[MS] [已完结]在MS中画完的结构不能导出为mol格式 (4/1743) 秦巴农夫 2012-03-19 2012-03-23 09:56:34 by 秦巴农夫
[MS] [已完结]在建立超晶胞的时候出了问题 (2/441) kinter616 2012-03-22 2012-03-22 17:53:03 by kinter616
[MS] [已完结]弹性常数计算问题 (2/447) QQQ9589 2012-03-22 2012-03-22 15:38:19 by hookah
[MS] [已完结]1Ha等于多少电子伏特 (3/2154) yushengbest 2012-03-22 2012-03-22 14:01:49 by zzy870720z
[MS] [已完结]CASTEP考虑自旋问题 (2/1233) hwceng0816 2012-03-21 2012-03-22 10:39:26 by hwceng0816
[MS] [已完结]建立Si80Ge20的晶体结构 (7/1568) supercat712 2012-03-19 2012-03-22 09:05:09 by fzx2008
[MS] 优化结果文件,有点不解,大侠来帮帮我。 (5/746) hwceng0816 2012-03-12 2012-03-22 04:53:15 by acridine
[MS] 特开此贴,希望关于晶胞几何优化过程能量出现上升,希望把这个问题搞懂。 (1/531) hwceng0816 2012-03-21 2012-03-21 22:56:02 by 贺仪
[MS] [已完结]DMOL3初学者请教    ( 1 2 ) (10/1782) ning_8023cui 2012-03-18 2012-03-21 20:20:21 by zhengjinde
[MS] 【求助】空间群有好多个,到底选择哪个?急求回答,谢谢。 (9/1683) bennanhai123 2011-04-03 2012-03-21 18:18:52 by 杜丫丫
[MS] [已完结]进行结构优化,准晶体 如Mg30Zn60Y10如何建模? (4/1642) zhangliflying 2012-03-21 2012-03-21 15:51:05 by hwceng0816
[MS] [已完结]大家帮忙看一下 (3/679) convenient 2012-03-21 2012-03-21 15:45:37 by 贺仪
[MS] [已完结]关于TIO2 DOS 图    ( 1 2 ) (12/1778) 飘在空中的雨 2011-08-10 2012-03-21 15:16:07 by 小瑞瑞
[MS] [已完结]铅银合金建模求助 (2/462) edward100400 2012-03-20 2012-03-21 11:26:36 by edward100400
[MS] Materials Studio Oline Help(chm格式) (4/1480) xylz6188 2012-03-17 2012-03-21 11:08:44 by xylz6188
[MS] forcite径向分布函数g(r)物理意义 (8/4419) 一木一木 2012-03-20 2012-03-21 10:01:33 by pumf
[MS] [已完结]能带图图中k点取值 (6/3292) fyh987 2012-03-19 2012-03-21 09:43:44 by fyh987
[MS] 弹性常数计算结果为0 (4/857) QQQ9589 2012-03-17 2012-03-21 09:36:13 by QQQ9589
[MS] [已完结]需要深入理解的 第一性原理3个具体问题 请教 (1/485) yguangrui 2012-03-21 2012-03-21 09:19:41 by 凌爱波
[MS] 怎样用CASTEP做压力对弹性常数的影响 (2/577) hwceng0816 2012-03-21 2012-03-21 09:18:44 by hwceng0816
[MS] [已完结]求教各位,discover模块中隐性溶剂如何添加啊,在哪里设置介电常数啊 (1/220) 量化新手 2012-03-20 2012-03-21 08:49:46 by 量化新手
[MS] [已完结]在castep计算纯Fe的弹性模量时,总是结果要差一些 (1/978) kinter616 2012-03-20 2012-03-21 08:24:29 by kinter616
[MS] [已完结]如何从电子对称性 角度考虑磁耦合机制 (0/362) yguangrui 2012-03-20 2012-03-20 20:38:36 by yguangrui
[MS] [已完结]新建碳纳米管,进行结构优化,为什么五天才算完? (6/1665) jayster 2012-03-18 2012-03-20 20:22:46 by fzx2008
[MS] 【求助】热膨胀系数 (6/1369) newton3915 2010-05-20 2012-03-20 12:57:48 by zhuzhudgyg
[MS] [已完结]关于磁性计算 (3/906) mengchouchou 2012-03-18 2012-03-20 10:28:59 by mengchouchou
[MS] [已完结]MS指标化时Failed to start Powder Indexing...Failed to copy file.? (0/445) yangchunrong 2012-03-20 2012-03-20 10:25:10 by yangchunrong
[MS] [已完结]MS的CASTEP计算一定要联网吗? (4/2023) nan1026feng 2012-03-19 2012-03-20 10:18:18 by hwceng0816
[MS] [已完结]关于dmol3中的TS search任务失败--求高手指点 (2/1017) 紫石婴宁 2012-03-19 2012-03-20 09:18:47 by 紫石婴宁
[MS] [已完结]今天用CASTEP计算声子谱,出现下列提示,有能看懂的大侠帮忙解释下    ( 1 2 ) (11/3512) leon11012 2012-03-13 2012-03-20 09:06:09 by future_wl
[MS] [已完结]使用dmol3计算频率没有出现谱图是什么原因啊 (1/247) 量化新手 2012-03-19 2012-03-20 08:55:39 by 量化新手
[MS] [已完结]BiFeO3的能带计算 (2/903) Andyzd 2012-03-19 2012-03-20 08:54:53 by guodonglin
[MS] [已完结]优化和性质计算成功,但是分析结果时键结构图看不了,怎么办? (3/1075) huahuazan 2012-03-19 2012-03-19 20:28:58 by stefsui
[MS] [已完结][关贴]MS可以计算晶格参数吗 (2/732) studentyan 2011-05-20 2012-03-19 19:45:32 by studentyan
[MS] [已完结]急求助! (0/161) zhanghuayuan 2012-03-19 2012-03-19 19:15:37 by zhanghuayuan
[MS] [已完结]Fe掺杂TiO2时,为什么既可以做施主能级又可以做受主能级?    ( 1 2 ) (11/2146) 凌爱波 2012-03-12 2012-03-19 18:28:27 by shmilylxc
[MS] [已完结]CASTEP计算六方密排结构的弹性常数出现没想到的结果 (2/971) hwceng0816 2012-03-18 2012-03-19 11:05:56 by hwceng0816
[MS] [已完结]过渡金属团簇吸附氢后磁矩会改变吗 (0/309) MissQin 2012-03-19 2012-03-19 10:37:19 by MissQin
[MS] [已完结]聚合物MS! (1/383) zm_tbw 2012-03-14 2012-03-19 09:33:40 by damihu2011
[MS] [已完结]FFT网络 K空间的问题 求帮助 求指点。。。好急好急。。 (0/356) lq6865387 2012-03-19 2012-03-19 09:13:26 by lq6865387
[MS] 【求助】Castep计算聚合物吸收光谱出现的各种问题,求救高人指点。 (2/382) cmyy1988 2010-12-10 2012-03-19 07:21:53 by damihu2011
[MS] 【求助】聚合物与金属氧化物作用 (1/444) fu19871111 2011-03-30 2012-03-19 06:53:55 by damihu2011
[MS] 【求助】模拟“聚合物在金属氧化物表面的相互作用”问题 (2/544) hanpeng972 2011-04-06 2012-03-19 06:53:36 by damihu2011
[MS] 【求助】怎么给聚合物单体标号 (1/270) yang1983cn 2011-03-21 2012-03-19 06:38:35 by damihu2011
[MS] [已完结]AC中点analyze咋没反应 (1/315) 魔王的结论 2011-05-04 2012-03-19 06:37:46 by damihu2011
[MS] 【求助】吉布斯自由能的计算 G (6/3515) wthpl 2010-06-18 2012-03-18 16:29:19 by ChemiAndy
[MS] [已完结]CAStep计算出错 新手不是很懂    ( 1 2 ) (11/2447) JoshuaR 2012-03-16 2012-03-18 15:54:35 by aaq2800
[MS] [已完结]请问高手怎么用MS对PuO2进行结合能的计算 (2/312) 学员MQJm92 2012-03-18 2012-03-18 12:47:06 by shmilylxc
[MS] [专家] [已完结]有人遇到过MS文件读写错误的情况吗? (4/1230) dxcharlary 2012-03-14 2012-03-18 09:45:54 by shmilylxc
[MS] [已完结]MS界面对接问题 (2/388) pg_happy 2012-01-10 2012-03-18 07:21:39 by hwceng0816
[MS] [已完结]没有root权限 ms节点并行 (1/335) scq123 2012-03-17 2012-03-17 18:52:26 by souledge
[MS] [已完结]形成能问题 (2/797) lingm1055 2012-03-16 2012-03-17 17:25:42 by lingm1055
[MS] 135个atom需要多少内存 (17/1687) scq123 2012-03-14 2012-03-17 12:59:11 by chenyuchen
[MS] 最高对称性怎么看? (0/353) hwceng0816 2012-03-16 2012-03-16 22:27:24 by hwceng0816
[MS] [已完结]castep总是运算出错,哪位高手能帮忙解决一下呢?? (9/3571) lixiao85 2011-05-30 2012-03-16 18:46:23 by 415999915
[MS] [已完结]在MS中能带结构已经做出,剪刀算符?    ( 1 2 ) (12/2672) ling0ling 2011-09-10 2012-03-16 14:13:42 by 愤怒的姿态
[MS] [已完结]化合价变价问题。。。。。 (1/892) 风萧萧栖 2012-03-16 2012-03-16 12:47:20 by shmilylxc
[MS] [已完结][关贴]MS一运行license文件就不见,怎么回事?    ( 1 2 ) (14/904) 易沁桦 2012-03-15 2012-03-16 11:28:24 by 易沁桦
[MS] [已完结]有什么方法能够通过castep算一算同素异形体的化学活性? (0/152) minhuihua 2012-03-16 2012-03-16 11:21:27 by minhuihua
[MS] [已完结]求助 此图不懂 可否用MS计算出呢 (0/182) jiaopeng8253 2012-03-16 2012-03-16 10:49:44 by jiaopeng8253
[MS] [已完结]求第一性原理做吸附的优秀硕士或博士论文 (3/965) qiudong1009 2012-03-15 2012-03-16 01:43:12 by cxguo
[MS] [已完结][关贴]求公式的含义(当初图没上传了,问题已解决,望版主删除此贴) (0/163) slogos 2012-03-15 2012-03-15 22:08:01 by slogos
[MS] [已完结]优化金属,成功,但能量图只显示一个点 (0/337) ning_8023cui 2012-03-15 2012-03-15 21:36:52 by ning_8023cui
[MS] [已完结]MS软件老出错,求指导 (3/1294) Zpffpz 2012-03-14 2012-03-15 20:27:05 by lq6865387
[MS] [已完结]过渡态搜索时出现的虚频有什么用 (1/1618) wangyoucheng 2012-03-15 2012-03-15 17:19:33 by niuxiaoqi721
[MS] [已完结]castep几何优化问题,与原结构相差大 (5/1120) dalongmao 2012-03-07 2012-03-15 09:01:53 by dalongmao
[MS] [已完结]求救了,关于结合能的计算 (3/2076) xiaowawa2222 2012-03-14 2012-03-15 08:07:44 by wyxhenu
[MS] [已完结][关贴]做超晶胞掺杂计算 不收敛    ( 1 2 ) (11/2870) zhangchaozky 2012-03-14 2012-03-14 23:58:55 by acridine
[MS] [已完结]陷阱能级形成的微观机理 (2/1283) xiaoluoj 2012-03-11 2012-03-14 19:34:35 by xiaoluoj
[MS] [已完结]看了好多论文都说FFT网络为12*12*12 这是什么意思呢?又在哪里设置呢?总能量弛豫 (7/1624) lq6865387 2012-03-12 2012-03-14 19:03:24 by lq6865387
[MS] [已完结][关贴]N掺杂SrTiO3超晶胞计算 (0/282) zhangchaozky 2012-03-14 2012-03-14 17:17:42 by zhangchaozky
[MS] [已完结]MS计算选择optical properties 算出来分析得到的几个图是代表什么性质呢    ( 1 2 ) (10/1931) guolianshun 2011-09-11 2012-03-14 14:15:13 by fyh987
[MS] [已完结]用CASTEP计算能带、态密度能否+U (9/2443) liuweijie11 2011-12-11 2012-03-14 11:46:33 by 牛振威
[MS] [已完结]做石墨烯吸附Fe原子优化,修改k-point例如3x3x1失败什么原因,谢谢指教 (2/464) yushengbest 2012-03-14 2012-03-14 10:39:28 by fzx2008
[MS] [已完结]求高手帮助我解答了。。。好郁闷的事情。。。 (0/198) lq6865387 2012-03-14 2012-03-14 09:01:53 by lq6865387
[MS] [已完结]求助MS模拟X射线衍射怎么标出晶面指数 (0/738) tzl728 2012-03-13 2012-03-13 23:28:05 by tzl728
[MS] [已完结]急!求助晶体cif文件导入到MS后,Ga和Zn元素位置重合!    ( 1 2 ) (13/1935) tequila2008 2012-02-25 2012-03-13 22:59:09 by tequila2008
[MS] 关于EOS拟合 (0/310) hwceng0816 2012-03-13 2012-03-13 18:25:19 by hwceng0816
[MS] [已完结]差分电荷密度 (0/251) kirk0017 2012-03-13 2012-03-13 17:33:22 by kirk0017
[MS] [已完结]求助虚拟晶体问题 (7/1395) tequila2008 2012-03-03 2012-03-13 16:16:59 by nan1026feng
[MS] [已完结]怎样用MS建立LiFePO4和FePO4三维晶型? (3/1204) 建军 2012-03-12 2012-03-13 15:52:35 by 建军
[MS] [已完结]Castep计算SiO2超胞错误 (2/301) xysu 2012-03-08 2012-03-13 15:51:03 by qx0813
[MS] [已完结]提交任务后CPU不运行问题求解 (9/1933) lyyzhangcong 2012-01-22 2012-03-13 15:46:27 by 山大清洁工
[MS] electron density difference 和 bulk modulus (6/1894) gy850501 2012-03-07 2012-03-13 14:23:32 by shmilylxc
[MS] 【求助】CASTEP 求功函数    ( 1 2 ) (17/2272) zhangxn06 2009-09-26 2012-03-13 11:54:03 by lushunqi
[MS] 【求助】计算功函数,为何不产生势能分布曲线.xcd文件 (5/1047) shengfengyu 2011-03-09 2012-03-13 10:34:54 by lushunqi
[MS] [已完结]请教关于本机的Dmol计算问题——望高手指点 (6/1816) hwf70513012 2012-03-11 2012-03-13 08:14:08 by 天棚元帅
[MS] 【求助】声子谱计算 (5/1409) newton3915 2010-05-22 2012-03-13 06:08:29 by lfsphysics
[MS] [已完结]纳米片 (2/258) The-One 2012-03-03 2012-03-12 20:09:00 by The-One
[MS] 【求助】如何用MS画LiFePO4和FePO4的3D模型 (1/477) fgsun2006 2010-08-10 2012-03-12 18:14:47 by 建军
[MS] 【求助】MS中如何改变晶格的原点位置? (1/1268) fgsun2006 2010-08-19 2012-03-12 18:13:19 by 建军
[MS] [已完结]谁能告诉我,金属铁的镶嵌原子势参数,还有 (0/195) 527751273 2012-03-12 2012-03-12 16:50:37 by 527751273
[MS] [已完结][关贴]求助文献 R.X.Wang,D.J.Zhang,Y.M.Zhang,C.B.Liu,J.Phys.Chem.B110(2006)18267 (5/635) jhniu8233 2012-03-12 2012-03-12 16:32:44 by 量化新手
[MS] [已完结]关于石墨烯的能带结构 (8/2752) jinzhulin000 2011-05-27 2012-03-12 14:55:35 by 静@思
[MS] 某一个面的表面能怎么计算? (0/558) hwceng0816 2012-03-12 2012-03-12 13:46:37 by hwceng0816
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