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[热点] 304求调剂(085602,过四级,一志愿985) 化工人999 2026-04-09 刚刚
[MS] 【求助】使用Dmol计算Co2和Co2N中的问题 (4/568) wmm-11 2008-06-11 2008-06-14 10:33:03 by wmm-11
【求助】MS突然无法运行了 (6/1149) wmm-11 2008-06-13 2008-06-14 10:28:58 by wmm-11
[MS] 【讨论】无序掺杂晶体的CASTEP计算设置及讨论    ( 1 2 ) (+3) (评阅+3) (13/3462) aylayl08 2008-06-11 2008-06-14 09:42:02 by aylayl08
[MS] 【求助】如何才能把最新版的4.3版上传    ( 1 2 3 ) (23/1412) daniel2001 2008-06-10 2008-06-13 23:46:24 by wxymax
[MS] 化学元素周期表 (3/826) 066040223 2008-06-04 2008-06-13 23:07:10 by ocean08
[MS] [求助] 新手求助Castep (2/365) zxyzxy 2008-06-13 2008-06-13 22:08:15 by zxyzxy
[MS] 【求助】计算二氧化钛渗氮后的紫外吸收强度 (0/228) why626 2008-06-13 2008-06-13 21:15:43 by why626
[MS] 【表面模拟】castep计算中遇到的几个问题 (8/1923) csfn 2007-12-03 2008-06-13 18:40:24 by aylayl08
【求助】MS dnol3计算中的DOS问题 (8/950) qscao 2008-06-11 2008-06-13 11:43:08 by qscao
[MS] [求助]在64位机上运行CASTEP,fix不能选 (0/294) hufeng 2008-06-13 2008-06-13 10:12:16 by hufeng
【求助】MS中smearing的用途 (3/1963) mengsk 2008-06-12 2008-06-13 09:30:19 by aylayl08
[MS] [求助]如何画分子的运动轨迹 5 (0/488) wujianyang 2008-06-13 2008-06-13 09:21:46 by wujianyang
[MS] [求助]MS能模拟水溶液里面的吸附过程吗 (2/553) ruifeng 2008-06-12 2008-06-13 08:54:09 by liliracial
【求助】请教各位 有关VASP 中K点的设置 以及如何测试截断能和K点数目是否收敛    ( 1 2 ) (12/1894) wuchenwf 2008-03-08 2008-06-12 21:21:49 by sunyunmeng
[MS] 【求助】5个金币求Cerius2的使用手册 (7/452) xiaowandouer 2008-06-05 2008-06-12 19:12:48 by xxffliu
[Vasp&Me ] 【求助】BIS (0/308) sure1027 2008-06-12 2008-06-12 16:07:57 by sure1027
[MS] 【求助】大家帮帮忙 (1/250) harry_ll8228 2008-06-11 2008-06-12 11:38:41 by harry_ll8228
[MS] 哪位大侠帮我解答下这个简单的问题,偶是一菜鸟,谢谢 (1/328) liuyi20040101 2008-06-11 2008-06-11 23:02:50 by dongping001
[MS] 【求助】CASTEP能搜索过渡态么? (1/643) linglixia 2008-06-11 2008-06-11 21:57:55 by watermall
【求助】makefile 中路径是什么意思? (8/936) jghe 2008-06-02 2008-06-11 21:47:43 by lonewolf659
[MS] [求助]MS计算收敛不稳定 (4/723) lcl211 2008-06-07 2008-06-11 17:30:12 by lcl211
[MS] 【求助】如何化能带图? (1/412) smazz 2008-06-11 2008-06-11 16:03:31 by aylayl08
【求助】恳请高手帮我解决这个MS中的错误? (3/626) wuli8 2008-04-13 2008-06-11 12:57:22 by wuli8
[MS] [关贴]【最新资源】MS4.3教程(79页)    ( 1 2 3 ) (28/1594) wuli8 2008-06-10 2008-06-11 10:08:49 by knightsc
[MS] 抢先看MS4.3的新功能! (评阅+1) (1/530) wuli8 2008-06-10 2008-06-10 22:14:24 by truemantwo
【求助】结构优化得到的最优结构问题 3 (2/598) 52nana 2008-06-10 2008-06-10 16:57:04 by spur
【求助】关于替位式掺杂 2 (5/1199) fah 2008-06-09 2008-06-10 15:41:09 by aylayl08
【求助】怎样用MS建立晶界模型 (8/1527) nudthit 2008-06-03 2008-06-10 10:25:19 by yinboseusm
[MS] 【求助】计算径向分布函数的几个问题 6 (9/1349) abc6394490 2008-05-27 2008-06-10 09:14:03 by lei0736
[MS] 【求助】Castep计算声子谱或红外谱的振动模式 (3/684) watermall 2008-06-06 2008-06-09 20:33:43 by watermall
[MS] 【求助】:castep怎么先stop the gateway,再装个东西,之后重启才能计算? 2 (4/593) zdhlover 2008-05-20 2008-06-09 18:09:42 by anvier
[求助]vasp如何计算磁各向异性能? (6/2149) cationly 2008-06-07 2008-06-09 15:39:08 by cationly
[MS] [求助]DMOL里做差分电子密度图的Slice 可不可以自己定义位置 (3/651) cqzhanghuan 2008-05-10 2008-06-09 15:18:06 by liliracial
[MS] [求助]:MS能否计算晶体缺陷的扩散情况 (0/277) 58153365 2008-06-08 2008-06-08 21:34:45 by 58153365
[MS] 请教 (评阅-2) (1/112) caojianfanglc 2008-06-06 2008-06-08 21:23:56 by csfn
[MS] [求助]BSSE校正,在Materials-Studio里有否? (1/650) ems 2008-06-08 2008-06-08 21:16:54 by csfn
[MS] [求助]反应能量和能量势垒 (0/369) xiangshuai_hyf 2008-06-08 2008-06-08 20:48:11 by xiangshuai_hyf
[MS] [求助]Gaussian-3(简称G3)G3理论,在Materials-Studio里有否? (1/384) ems 2008-06-08 2008-06-08 20:41:21 by ahehyh
[MS] [求助]如何把findit中的.cif文件输入到MS里? (8/1953) whui19820410 2008-03-25 2008-06-08 16:42:24 by 墨香
[MS] 【求助】CASTEP 无法运行 1 (5/685) cup_lee 2008-06-07 2008-06-08 10:11:30 by hopingzmn
[MS] 【求助】求MS 4.2 example文件    ( 1 2 ) 2 (11/980) nudthit 2008-05-23 2008-06-07 08:04:50 by apple11111
【求助】请教一个关于LST/QST搜索过渡态的问题    ( 1 2 ) (16/1787) cometring 2008-06-04 2008-06-07 01:37:37 by cometring
[MS] 需要MS4.2的请到FTP上下载 (15/3618) watermall 2008-05-09 2008-06-06 22:11:55 by monowolf
[MS] 【求助】怎样在castep里构建一个薄膜模型 (5/788) wuzhuanhua 2008-04-23 2008-06-06 19:49:02 by ufoer
[MS] [求助]如何确定径向分布函数是对哪个离子来说的 (0/335) abc6394490 2008-06-06 2008-06-06 18:00:56 by abc6394490
[MS] [求助]:materials studio (9/840) fujishima 2008-05-30 2008-06-06 15:23:26 by spring_1219
[MS] [求助]有关过渡态 (0/310) smazz 2008-06-06 2008-06-06 14:28:50 by smazz
【求助】关于过渡态问题 (7/738) lightgjx 2008-06-04 2008-06-06 08:42:54 by zhangsky8812
【求助】哪位老兄发过MS方面的文章??能否告诉我,以便共享!!不胜感激!! (+1) (9/969) guoguo228 2008-06-01 2008-06-06 04:29:26 by zhangsky8812
[MS] cstep模拟高锰钢晶体 (0/259) szhuoxia 2008-06-05 2008-06-05 22:15:09 by szhuoxia
【求助】Mulliken布居分析如何计算轨道布居 (9/2212) weiyuxie 2008-05-21 2008-06-05 21:35:57 by ocean08
【求助】MS能通过化学式和晶格参数画出空间结构吗 (1/567) nudthit 2008-06-05 2008-06-05 21:03:48 by hopingzmn
【求助】用dmol模块计算过渡金属体系的若干问题 (2/367) sllmnls 2008-06-04 2008-06-05 16:59:57 by sllmnls
[Vasp&Me ] [求助]径向分布函数的分析 (0/738) liangw 2008-06-05 2008-06-05 16:48:10 by liangw
[MS] 电脑自动关机 (5/629) bingxing 2008-06-04 2008-06-05 15:23:11 by wuli8
[Vasp&Me ] 【求助】谁知道PSTRESS是怎么用的? 10 (0/494) cuihang 2008-06-05 2008-06-05 15:20:00 by cuihang
[MS] 【求助】DMol过渡态搜索有人在做么? (1/415) qli0218 2008-06-03 2008-06-05 09:24:18 by goodman959
[MS] materials studio可以建立封闭碳纳米管模型吗? (2/1064) siuchun 2008-06-04 2008-06-05 00:39:22 by saitou
[MS] 【求助】单个原子分态密度图不属于其轨道贡献的分析问题 (1/564) aylayl08 2008-06-04 2008-06-04 20:08:09 by jghe
[求助]有用vasp算过动力学的吗 (5/841) castep 2008-05-12 2008-06-04 15:23:14 by kylin78
[MS] 求助 TbxDy(1-x)Fe2的晶体结构怎么构建 (3/379) hityanyan 2008-05-29 2008-06-04 08:55:31 by szhuoxia
[MS] 【求助】DMol 计算O2 DOS 的小问题 (3/568) goodman959 2008-06-03 2008-06-03 22:28:56 by jghe
[MS] [求助]关于lda+u (2/431) lightgjx 2008-06-03 2008-06-03 22:25:15 by jghe
[MS] 问 :DMOL中怎样加电场? (0/321) caqhero 2008-06-03 2008-06-03 21:04:16 by caqhero
【求助】请教大家关于用DMOL3计算反应过程能量的问题 (6/666) Tina787 2008-06-02 2008-06-03 15:50:21 by Tina787
[MS] 【求助】MS4.1安装 2 (4/577) lovefaymin 2008-06-02 2008-06-03 11:18:13 by lovefaymin
【求助】纳米管和纳米线模型 (8/1031) wuzhuanhua 2008-05-30 2008-06-03 10:02:17 by wuzhuanhua
[MS] 【求助】DMol 分析DOS的问题 (1/256) goodman959 2008-06-02 2008-06-02 15:57:31 by goodman959
【求助】如何把化合物中每个元素的DOS分别表示出来 (2/535) xmc8362 2008-06-02 2008-06-02 12:13:18 by xmc8362
【求助】DOS结果如何导出? (2/321) cometring 2008-06-01 2008-06-02 11:15:28 by cometring
【求助】MS并行时如何指定节点来运算 (7/883) rainbot 2008-05-22 2008-06-02 01:08:56 by xujc1983
[MS] 【求助】用Discover中的Analysis模块分析“Elastic properties (static)”? (2/398) truemantwo 2008-05-31 2008-06-02 00:10:11 by xmc8362
[MS] 【求助】哪位老兄发过MS方面的文章??能否告诉我,以便共享!!不胜感激!! (0/353) guoguo228 2008-06-01 2008-06-01 16:12:04 by guoguo228
【求助】建模,如何将20X6个Ag原子放在fcc晶格中? (评阅+1) (3/380) harry_ll8228 2008-05-31 2008-06-01 13:38:54 by harry_ll8228
[MS] [求助]如何利用MS计算膜材料的热性能 (1/245) weijie08 2008-05-28 2008-06-01 12:26:55 by weijie08
【求助】新虫问一个菜的问题:单点能的计算 (2/534) clock-csu 2008-06-01 2008-06-01 11:46:16 by hopingzmn
【求助】为什么图形界面突然不能旋转了? 6 (3/482) cometring 2008-05-31 2008-06-01 10:10:59 by buble
【求助】结构优化和动力学的区别是什么呀? (2/459) lightgjx 2008-05-27 2008-05-31 21:56:58 by qasd
【求助】关于MS的建模问题 (1/438) savagefly 2008-05-30 2008-05-31 21:55:16 by qasd
【求助】MS中间结果不返回 (3/448) xiao2008zhu 2008-05-31 2008-05-31 21:26:09 by acridine
[MS] [求助]:怎么在BaTiO3薄膜中引入应力 (3/559) wuzhuanhua 2008-05-23 2008-05-31 09:56:59 by lightgjx
[MS] 我的MS为什么不能运行? (评阅-2) (5/613) mirage181 2008-05-30 2008-05-31 08:22:52 by wuli8
[MS] MS不能运行 (评阅-2) (3/532) mirage181 2008-05-30 2008-05-31 08:21:30 by wuli8
【求助】ACS的这2个杂志好不好中? (7/964) wzg33 2008-05-22 2008-05-30 18:58:02 by wzg33
[MS] 【求助】 用MS可以算出体系的电阻率和载流子的浓度吗? (2/499) liluyan 2008-05-28 2008-05-30 16:32:13 by y1ding
[MS] 【求助】用Materials studio发文章的版权问题    ( 1 2 ) (13/3109) xiao2008zhu 2008-05-23 2008-05-30 14:44:12 by lisa837
[MS] 【求助】DMol 进行TS search中PATH多 的问题 (0/251) goodman959 2008-05-30 2008-05-30 14:13:45 by goodman959
[MS] [求助]forcite计算所得结果的疑问 (1/782) clock-csu 2008-05-30 2008-05-30 13:48:54 by zyy816
[MS] 【求助】ms 4.2 的纳米盘链接怎么失效了呢?? (1/156) linxi1454 2008-05-28 2008-05-30 07:55:35 by yangzhichem
[MS] [求助]:怎样得到分子的合理几何构型呢 (0/258) sllmnls 2008-05-29 2008-05-29 19:42:02 by sllmnls
[MS] 【求助】Mn的晶体结构 (5/925) stonezhoujun 2008-05-18 2008-05-29 17:19:20 by lixiaowei
[MS] 【请教】Materials studio 4.1 能安装在win2003系统中吗? (7/843) xufund 2007-12-11 2008-05-29 15:43:28 by wuli8
[MS] [求助]如何在castep里算介电常数 (0/612) lightgjx 2008-05-29 2008-05-29 15:17:57 by lightgjx
[MS] 【求助】请教如何将CASTEP结构优化的轨迹文件(AVI格式)转变成更小的其它视频文件。 (2/639) yxcai 2008-05-28 2008-05-29 14:24:00 by spur
[MS] [求助]Castep中费米能级的问题 (5/1243) sduzsw 2008-05-08 2008-05-29 13:44:48 by stonezhoujun
[MS] 【求助】单个原子分态密度积分问题 (0/256) aylayl08 2008-05-29 2008-05-29 10:14:30 by aylayl08
【求助】MS中的能量换算 (2/557) 唯美 2008-05-29 2008-05-29 10:13:46 by 唯美
[MS] [求助] 请某大侠再发布 MS4.2, 4.3当然更好。 (0/144) wxymax 2008-05-29 2008-05-29 00:21:46 by wxymax
[MS] [求助]关于bsse! (0/253) deadbook 2008-05-28 2008-05-28 17:07:31 by deadbook
【求助】界面能计算公式中的一些问题 (2/3342) 干冰388 2008-05-28 2008-05-28 16:24:49 by 干冰388
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