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    [热点] 投稿精细化工 huashmo 2025-12-17 刚刚
    [MS] castep多核运算的问题 (5/1379) imation 2007-12-07 2008-10-19 00:23:30 by kuner
    [MS] 用拉橡皮筋(NEB)方法搜索过渡态 (2/252) zhouzhongjunzzj 2008-10-17 2008-10-18 14:53:27 by zhouzhongjunzzj
    [MS] [求助]轨迹分析 (0/74) renwenpo 2008-10-18 2008-10-18 14:47:01 by renwenpo
    [MS] 晶体轨道重叠布居COOP哪个软件里有？ 5 (0/270) zhouzhongjunzzj 2008-10-18 2008-10-18 14:38:50 by zhouzhongjunzzj
    [MS] 【求助】亨利常数 3 (4/494) 紊流 2008-10-17 2008-10-18 11:02:33 by 紊流
    [Vasp&Me ] 【求助】 ＶＡＳＰ计算速率常数 (1/345) kylin78 2008-10-08 2008-10-18 10:46:08 by hakuna
    [MS] [求助]第一性和DFT (1/216) linldq 2008-10-17 2008-10-18 09:17:31 by acridine
    [Vasp&Me ] [求助]Murnaghan状态方程怎么拟合？ (4/789) wenxuan5788 2008-09-26 2008-10-18 00:27:48 by cyber334
    [MS] 【求助】在MS4.3版有碳纳米管和氮化硼的模板，除此之外的纳米管怎么建立，如SiC纳米管    ( 1 2 ) (10/840) pashanhu105 2008-10-14 2008-10-17 18:44:23 by 灯塔守望者
    [MS] 非晶态合金模型 (0/143) 风隐幻 2008-10-17 2008-10-17 12:51:00 by 风隐幻
    [Vasp&Me ] [求助]有关vasp中能量的问题。 (1/164) wenxuan5788 2008-10-17 2008-10-17 11:18:37 by tq02ksu
    [MS] 【求助】txt文件里显示迭代次数是零，castep文件里却显示计算成功了是怎么会事情呢 (1/125) apple11111 2008-10-04 2008-10-17 10:55:43 by 小木虫503
    [MS] 【求助】有没有做过SMD? 3 (2/131) 2150308 2008-10-16 2008-10-17 08:25:28 by yyx19840628
    [MS] 【求助】做MS计算，需要电脑如何配置？ 3 (9/866) keyan0043 2008-10-14 2008-10-16 23:08:09 by qasd
    [MS] 【求助】请问CASTEP中如何计算LDOS？ (2/463) alix 2008-10-16 2008-10-16 22:33:43 by alix
    [MS] 【求助】做MS计算，遇到的问题 10 (2/201) keyan0043 2008-10-15 2008-10-16 19:22:44 by keyan0043
    [MS] [求助]MS老是弹对话框出来！    ( 1 2 ) (10/748) raul0716 2008-09-29 2008-10-16 18:58:59 by xiaoboy185
    [Vasp&Me ] 【求助】vasp计算MD时出现warning (0/191) zhangwj908 2008-10-16 2008-10-16 16:38:04 by zhangwj908
    [MS] <求助> 关于castep中的help中吸附问题 (3/398) jinhongyan2009 2008-10-15 2008-10-16 14:01:15 by spur
    [MS] castep如何计算表面功函 (3/581) dknfzu 2008-10-11 2008-10-16 13:39:56 by dknfzu
    [MS] [Materials-Studio]怎样看到单链的链长啊 (2/136) pinkone 2008-10-15 2008-10-16 10:58:33 by pinkone
    【求助】Dmol3问题 (7/586) meijuancao 2008-10-14 2008-10-16 10:56:27 by 沙风
    [Vasp&Me ] 【求助】请教关于计算DOS (1/153) channe 2008-10-15 2008-10-16 10:00:06 by ztwang
    [MS] [求助]LDA+U出错 (2/151) s638638 2008-10-14 2008-10-16 09:21:43 by zhfuchun
    [MS] 基本实验数据 2 (3/211) jinhongyan2009 2008-10-15 2008-10-16 08:04:05 by qingliniao
    [MS] [请教]自组装的discover模拟 (2/342) payne 2008-10-15 2008-10-16 02:16:26 by dolphin100
    [MS] 【求助】Dmol3如何计算红外 13 (4/726) zzqpdl 2008-10-06 2008-10-16 00:03:46 by donkeypku
    [MS] 请教+U设置 (3/373) watermall 2008-10-08 2008-10-15 23:55:29 by donkeypku
    [MS] 关于错误提示 (0/80) wwj_0905 2008-10-15 2008-10-15 23:14:07 by wwj_0905
    [MS] 关于Materials Visualizer (0/100) wwj_0905 2008-10-15 2008-10-15 22:35:14 by wwj_0905
    [MS] [求助] (6/138) yuanzilee23 2008-10-15 2008-10-15 21:34:20 by hopingzmn
    [MS] 【求助】Jahn-teller效应 5 (1/143) awpsr 2008-10-15 2008-10-15 21:12:39 by aylayl08
    [MS] 请教自由状态原子的能量算法 (1/155) sparkjx 2008-10-15 2008-10-15 19:19:47 by jieweiwei
    【求助】优化结果的不同 (5/286) jieweiwei 2008-10-14 2008-10-15 17:20:27 by jieweiwei
    [Vasp&Me ] 【求助】Error EDDDAV:Call toZHEGV failed.Returncode=43 356，如何解决 (1/121) sunyongcan 2008-10-13 2008-10-15 16:36:06 by gfei2008
    [MS] [求助]求助MS安装问题 (0/105) liuhailu 2008-10-15 2008-10-15 16:15:17 by liuhailu
    [MS] [求助] 求助acridine 关于discover (1/116) zplmff 2008-10-14 2008-10-15 14:05:36 by zplmff
    【求助】Materials Studio的linux安装    ( 1 2 ) (15/1443) newton-HIT 2008-05-11 2008-10-15 13:36:51 by wuli8
    [MS] 【求助】有关高分子链段建模 (0/100) wwj_0905 2008-10-15 2008-10-15 12:28:10 by wwj_0905
    [MS] 求助：服务器配置 (0/155) 466902981 2008-10-15 2008-10-15 10:39:51 by 466902981
    [MS] 自旋极化计算量 (2/172) mengsk 2008-10-10 2008-10-15 09:38:26 by mengsk
    [Vasp&Me ] 【求助】VASP编译成功，但一运行就提示找不到MKL库 (3/417) wonderflyer 2008-10-14 2008-10-15 09:06:12 by frogzhou
    [MS] [求助]castep中如何计算晶体中原子的键价 (2/341) wenxuan5788 2008-10-14 2008-10-15 08:35:45 by wenxuan5788
    [MS] 【求助】弹性常数 2 (2/178) 学员H1RkcJ 2008-10-13 2008-10-14 21:52:20 by zw_tju
    [MS] 分子模拟入门需要哪些基础知识？ (0/167) lcliuchem 2008-10-14 2008-10-14 21:48:14 by lcliuchem
    [MS] [求助] 12 (3/366) yuanzilee23 2008-10-14 2008-10-14 21:33:13 by hopingzmn
    [MS] 【求助】ELF值 (0/113) jieweiwei 2008-10-14 2008-10-14 19:19:28 by jieweiwei
    [Vasp&Me ] 请教VASP计算碳纳米管管束的态密度和能带 5 (0/203) TIGERYZZ 2008-10-14 2008-10-14 18:50:47 by TIGERYZZ
    [MS] 求助 请问有没有分子组成的团簇啊？ (0/83) jiawdd 2008-10-14 2008-10-14 17:48:35 by jiawdd
    [Vasp&Me ] 关于VASP中的PAW势？ (0/183) gaofenglili 2008-10-14 2008-10-14 17:36:56 by gaofenglili
    [MS] 【求助】：投稿 (0/118) lixiaowei 2008-10-14 2008-10-14 17:03:55 by lixiaowei
    【求助】materials studio 4.2 的使用问题 (9/725) yuanzilee23 2008-10-07 2008-10-14 15:39:15 by hopingzmn
    [MS] energe cutoff和k-point的选取 (4/656) flaipeng 2008-10-12 2008-10-14 15:02:53 by flaipeng
    【求助】dmol3的问题 (8/505) sdzll 2008-10-13 2008-10-14 11:54:16 by sdzll
    [MS] 求助：dmol3的分析问题 (2/158) sdzll 2008-10-14 2008-10-14 11:48:36 by sdzll
    [MS] dimensional effect的问题，在线等 (0/51) wwj_0905 2008-10-14 2008-10-14 10:55:09 by wwj_0905
    [MS] TS search是什么意思 (3/867) 2007000491 2008-10-08 2008-10-14 10:13:27 by cysqxr
    【求助】[Materials-Studio]一个晶胞，怎样变成4X4啊 (5/945) pinkone 2008-10-13 2008-10-14 09:44:45 by effi903
    [MS] 界面设计讨论 (6/381) juanjuanlea 2008-10-08 2008-10-14 09:33:52 by lwjonly
    [MS] poor numerical integration accuracy, use finer integration (0/68) meijuancao 2008-10-14 2008-10-14 09:17:33 by meijuancao
    [Vasp&Me ] 求助：结构优化会出现循环迭代怎么办？ (0/83) 学员BqhKvV 2008-10-14 2008-10-14 09:03:40 by wzzwwt
    【求助】体积弹性模量 (4/652) jinhongyan2009 2008-10-13 2008-10-13 22:33:12 by qingliniao
    [MS] 【求助】计算中出现的问题 (1/92) jieweiwei 2008-10-13 2008-10-13 22:23:18 by acridine
    [MS] cavity-sizing algorithm (0/39) wwj_0905 2008-10-13 2008-10-13 17:20:05 by wwj_0905
    [Vasp&Me ] 【求助】Ga、Ge的PAW_GGA赝势（有酬谢） (0/113) luolijin 2008-10-13 2008-10-13 16:27:01 by luolijin
    [MS] 【求助】Boudouard reaction是哪种反应？ (0/95) wll-violet 2008-10-13 2008-10-13 16:00:56 by wll-violet
    [求助]晶格常数计算选点间距。 (3/418) wenxuan5788 2008-10-10 2008-10-13 15:08:18 by y1ding
    【求助】构造晶胞的问题 (6/485) yuanzilee23 2008-10-13 2008-10-13 14:43:10 by yuanzilee23
    [MS] 求助：双层密排六方的空间群是什么 9 (3/1501) qx0813 2008-10-12 2008-10-13 14:24:28 by qx0813
    [MS] 关于Hessian (2/148) wwj_0905 2008-10-13 2008-10-13 10:52:56 by wwj_0905
    [MS] 关于properties选项 (0/150) wwj_0905 2008-10-13 2008-10-13 10:52:10 by wwj_0905
    [MS] 求助，在线等 (3/111) wwj_0905 2008-10-13 2008-10-13 10:29:17 by wwj_0905
    [MS] 关于display style，求助，在线等 (2/154) wwj_0905 2008-10-12 2008-10-12 17:40:50 by wwj_0905
    [MS] 求助:请问，在做纳米吸附分子时，管-分子距离和结合能关系？ 5 (0/82) smallcelery 2008-10-12 2008-10-12 17:07:12 by smallcelery
    [MS] <求助>关于empty bands 1 (6/486) jinhongyan2009 2008-10-10 2008-10-12 15:16:54 by jinhongyan2009
    [MS] 【求助】a-Ga的建模 (0/73) jieweiwei 2008-10-12 2008-10-12 10:47:22 by jieweiwei
    [MS] 【求助】计算失败 (4/369) jieweiwei 2008-10-11 2008-10-12 09:54:22 by jieweiwei
    [Vasp&Me ] 【求助】Sun上编译vasp 35 (4/592) nanoeer 2008-10-07 2008-10-11 22:47:18 by wuli8
    [MS] 如何用castep计算出有屈服的应力－应变曲线？ (6/791) nextnest 2008-10-09 2008-10-11 22:28:33 by nextnest
    [MS] 求助！吸附模型的建立 2 (3/725) lqz0614 2008-10-09 2008-10-11 18:41:07 by lqz0614
    [MS] [求助]Solvation Energy如何计算？ 3 (3/530) ems 2008-07-30 2008-10-11 16:27:27 by elexware
    [MS] [求助]刚装的ms用CASTEP计算，运行按钮是灰的 (5/950) cfj120 2008-10-09 2008-10-11 12:17:57 by mouse3511
    [MS] 求助： 用MS计算晶体的表面性质和缺陷 (3/382) littlemoney 2008-10-10 2008-10-11 10:41:10 by littlemoney
    [MS] 怎么打开晶体文档？ (2/121) wwj_0905 2008-10-10 2008-10-11 10:21:32 by jolly
    [MS] 我的能带图怎么是这个样子呢？ 10 (评阅-2) (5/472) daisyggg 2008-09-21 2008-10-11 09:11:51 by aylayl08
    [MS] 关于Hartree-Fock，在线等 (1/104) wwj_0905 2008-10-10 2008-10-11 08:41:26 by acridine
    【求助】Castep优化结果 (6/564) jieweiwei 2008-10-10 2008-10-11 08:27:53 by acridine
    [MS] 磁性材料表面电子的自旋态是什么？ 5 (0/181) mengsk 2008-10-10 2008-10-10 22:22:05 by mengsk
    [MS] 【求助】如何获得能量－体积曲线 (4/507) 学员H1RkcJ 2008-10-09 2008-10-10 20:24:07 by zw_tju
    [Vasp&Me ] electrostatic potential at the core (0/180) xiaogai 2008-10-10 2008-10-10 18:32:49 by xiaogai
    [MS] 建了一个MS群68435997，人已经满了！ (1/140) jiawdd 2008-10-10 2008-10-10 17:14:34 by qktscdx
    [MS] [Materials-Studio] 【求助】MS的格式问题 (0/89) pinkone 2008-10-10 2008-10-10 15:52:10 by pinkone
    [MS] [Materials-Studio] 【求助】怎样用MS构造材料表面 (0/114) pinkone 2008-10-10 2008-10-10 15:51:13 by pinkone
    【求助】能用MS能计算分子间的作用力吗！ (3/326) heavengatester 2008-10-09 2008-10-10 11:34:57 by 灯塔守望者
    [MS] 求助，在线等 (5/267) wwj_0905 2008-10-09 2008-10-10 11:02:59 by wwj_0905
    [MS] can't get job work area (0/99) wwj_0905 2008-10-10 2008-10-10 10:56:55 by wwj_0905
    [MS] 求GaN晶体的参数    ( 1 2 ) (18/1132) zplmff 2008-10-07 2008-10-09 21:43:34 by kuner
    [MS] 请教CASTEP计算弹性常数失败的原因    ( 1 2 ) (11/1253) daisyggg 2008-08-28 2008-10-09 20:47:38 by daisyggg
    [MS] 【求助】利用CASTEP计算晶体的光学性质，10金币作为酬谢，急！！！！！ (3/515) lindlar0078 2008-10-05 2008-10-09 20:21:13 by lindlar0078
    [MS] [求助]关于自旋是否极化的问题 3 (4/310) agou 2008-10-09 2008-10-09 19:51:51 by jghe
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