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[热点] 好消息？这个有何含义？？？ Tide man 2026-08-11 刚刚
[MS] 看不懂Dmol的输出文件，大虾指导一下！ (0/387) Janboma 2011-05-25 2011-05-25 00:54:07 by Janboma
[MS] castep中的参数"use line search"和“convergence window”是什么意思？ (0/1062) Janboma 2011-05-25 2011-05-25 00:46:55 by Janboma
[MS] 【求助】discover模拟复合材料表面相互作用需要分析哪些 (6/1582) TengKer 2010-06-04 2011-05-24 20:15:03 by franch
[MS] 【求助】表面氧空位设置及吸附氧气分子解离问题 (3/3517) houfeifan 2010-10-04 2011-05-24 20:07:55 by franch
[MS] [关贴]【求助】如何建立(TiO2)46 cluster 结构模型 (0/357) tandz 2010-06-15 2011-05-24 20:00:45 by tandz
[MS] ms55计算结果与ms5的不同？ (11/1229) Janboma 2011-05-23 2011-05-24 17:24:06 by wzbhit
[MS] [已完结]如何确定杂质半导体中杂质的价态 (4/1058) ujqt007 2011-05-24 2011-05-24 17:13:11 by stractor
[MS] [已完结]castep 报错 (1/664) 点点滴滴2 2011-05-19 2011-05-24 14:28:47 by dujunhui
[MS] [已完结][关贴]MS 建团簇模型 (评阅-7) (4/2100) yhailing 2011-05-16 2011-05-24 13:04:54 by yhailing
[MS] [已完结]缓蚀剂在铜表面的吸附构型 (金币≥1)(2/77) 有奖问答 2011-05-22 2011-05-24 11:14:37 by 大陆漫步者
[MS] [已完结]Materials studio 中用castep模块计算光学性质在毫米波段内是否准确呢 (2/749) zhenzhengong 2011-05-23 2011-05-24 10:12:23 by zhenzhengong
[MS] [已完结]关于费米能正负的问题 (0/912) ese 2011-05-24 2011-05-24 09:20:47 by ese
[MS] [已完结]频率分析的结果文件中总是出现虚频 (0/364) 一木一木 2011-05-24 2011-05-24 08:45:17 by 一木一木
[MS] [已完结]吸附热满足什么条件时，两组分可以通过分子筛分离 (1/327) binkwei 2011-05-24 2011-05-24 08:40:54 by yangjf0324
[MS] [已完结]superpose structure比较之问题 (0/226) mjjwhs 2011-05-24 2011-05-24 08:37:47 by mjjwhs
[MS] 【求助完毕】如何将MS的xtd结果文件中一系列的结构参数取出？ (9/2579) gongxd325 2010-03-31 2011-05-24 01:14:32 by babaleo
[MS] [已完结]锆钛掺杂和锆钛合金是一个意思么？ (0/2239) bbhuang 2011-05-23 2011-05-23 23:31:51 by bbhuang
[MS] [已完结]为什么做表面弛豫时，真空层位置不同会对结果有显著影响？    ( 1 2 ) (13/3318) yaodu 2011-04-22 2011-05-23 22:14:46 by yaodu
[MS] [已完结][关贴]discover ， forcefield 没有元素Sb 的力场 (0/377) franch 2011-05-16 2011-05-23 22:12:06 by franch
[MS] [已完结]求助 (2/331) xiaokun_0086 2011-05-23 2011-05-23 21:27:09 by franch
[MS] 【求助】求助Tetragonal CuO的结构参数 (8/833) gougou531 2010-12-15 2011-05-23 15:26:12 by 贺仪
[MS] [已完结]有机分子模拟，对比运算，参数如何设置 (0/256) wzh871115 2011-05-23 2011-05-23 10:46:32 by wzh871115
[MS] 【求助】各位大侠请问打算做第一原理计算，服务器配置情况及价格,越详细越好！谢谢！ (3/1056) chllee 2011-03-12 2011-05-23 10:27:00 by zxrhuanan
[MS] [已完结]有关output files输出文件的种类疑问 (0/195) 面包房的仓鼠 2011-05-23 2011-05-23 09:35:01 by 面包房的仓鼠
[MS] [已完结]新手请教castep简单问题，谢谢！ (2/263) magichow 2011-05-22 2011-05-22 22:52:45 by magichow
[MS] 【求助】剪刀算符的运用于gga (9/2346) longwangye 2011-03-08 2011-05-22 20:50:39 by stractor
[MS] [已完结]大家知不知道光甘草定，查耳酮，二氢黄酮醇的SCD号？ (金币≥50)(0/14) 349158489 2011-05-22 2011-05-22 14:18:33 by 349158489
[MS] [已完结]LDA计算晶格常数问题 (3/1087) cash_ms 2011-05-21 2011-05-22 04:30:54 by stractor
[MS] 【求助】CASTEP怎样进行固定自旋计算？ (5/1027) currentyoungman 2011-04-04 2011-05-21 22:29:17 by currentyoungman
[MS] [已完结]关于material studio中怎样处理态密度？ (3/1890) 444239852 2011-05-16 2011-05-21 21:42:50 by identation
[MS] [已完结]三斜晶体E-V曲线求助 (6/1557) 风萧萧栖 2011-05-21 2011-05-21 21:21:25 by 贺仪
[MS] [已完结]CASTAP analysis中分析能带结构 partial 是灰色的无法选咋办？大侠帮帮忙，我是小白~~ (7/1656) 1susu1 2011-05-21 2011-05-21 18:44:05 by woshilaoer8381
[MS] [已完结]在ms用distance怎么改变层间距 (6/2739) 小草阳 2011-05-21 2011-05-21 17:59:58 by cash_ms
[MS] [已完结]如何计算键能，听说可以用自由基能量减去原分子能量，具体怎么做呢？谢谢 (2/471) Excaliburn 2011-04-30 2011-05-21 11:41:51 by Excaliburn
[MS] [已完结]如何解决，MS不联网计算！ (1/770) coffey7835 2011-05-20 2011-05-21 00:15:09 by guohuazhong
[MS] [已完结]关于能隙修正 (2/884) interwc 2011-05-20 2011-05-20 22:05:41 by 1021576327
[MS] [已完结]castep中计算得到的能带结构问题 (0/909) lida2008 2011-05-20 2011-05-20 14:36:09 by lida2008
[MS] 【求助】MS安装出错 (5/1007) xk6891 2011-02-19 2011-05-20 13:23:53 by xk6891
[MS] castep energy cutoff的设置 (2/1153) scq123 2011-05-19 2011-05-20 11:37:04 by scq123
[MS] [已完结]用 origin 做能带结构图 (1/807) 飘在空中的雨 2011-05-20 2011-05-20 10:58:59 by 贺仪
[MS] [已完结]CASTEP 关于状态的问题 (2/545) 飘在空中的雨 2011-05-17 2011-05-20 10:34:25 by 飘在空中的雨
[MS] 【求助】CASTEP 错误    ( 1 2 ) (12/2473) sheskybird 2010-09-18 2011-05-20 10:06:53 by hecking
[MS] [已完结]求助 (评阅-1) (6/800) interwc 2011-05-04 2011-05-20 00:32:09 by njuswj
[MS] 【求助】CASTEP计算磁性，有警告。什么意思？ (7/2020) wh_xy 2010-12-29 2011-05-19 23:15:15 by songbone
[MS] 【求助成功】MS5.0安装问题求指教。 (8/1266) newdings 2011-01-16 2011-05-19 19:57:28 by flyingphoenix
[MS] [已完结]用DMOL优化分子 (1/311) liujie5631 2011-05-19 2011-05-19 18:16:09 by cg陈
[MS] [已完结]MS页面输出文件不能查看全部。 (0/244) guolianshun 2011-05-19 2011-05-19 16:56:25 by guolianshun
[MS] [已完结]Mulliken charge的输出问题 (金币≥2)(0/45) 面包房的仓鼠 2011-05-19 2011-05-19 16:27:34 by 面包房的仓鼠
[MS] [已完结]CASTEP计算出错 (0/240) freshman8185 2011-05-19 2011-05-19 14:58:19 by freshman8185
[MS] [已完结]紧急求助!!间隙原子如何掺杂？？磁性计算只要选择spin polarized吗？ (0/520) 猪猪9090 2011-05-19 2011-05-19 14:54:02 by 猪猪9090
[MS] [已完结][关贴]跪求已成功安装的LINUX 版的Ms (评阅-1) (0/324) 李佳佳佳 2011-05-19 2011-05-19 12:33:03 by 李佳佳佳
[MS] [已完结]关于超晶胞的问题    ( 1 2 ) (12/1712) x163_yu 2011-05-16 2011-05-19 10:29:51 by x163_yu
[MS] [已完结]如何减小，晶面的面积？或是说减少原子数？ (0/390) coffey7835 2011-05-19 2011-05-19 09:12:07 by coffey7835
[MS] [已完结]关于自旋极化的设置 (4/2131) 飘在空中的雨 2011-05-17 2011-05-19 02:52:11 by study163
[MS] 【求助】掺杂碳管的总能量比纯碳管的高，是不是不可以掺杂？ (5/880) zhanglx8632 2011-03-03 2011-05-19 02:49:43 by study163
[MS] [已完结]CASTEP中如何设置厚度    ( 1 2 ) (10/1954) yss2790 2011-05-04 2011-05-18 15:34:02 by yss2790
[MS] [已完结]紧急救助！！！ (评阅-1) (3/525) x163_yu 2011-05-18 2011-05-18 15:02:39 by x163_yu
[MS] [已完结]origin 里做能带结构图 (2/979) 飘在空中的雨 2011-05-18 2011-05-18 14:42:48 by wenyan0517
[MS] [已完结]求windows版本下的MS5.5以及相应的licence。 (3/650) deadbook 2011-05-18 2011-05-18 13:55:52 by deadbook
[MS] [已完结]有效质量与能量变化有什么关系？ (金币≥5)(3/84) shengfengyu 2011-05-17 2011-05-18 13:42:39 by 贺仪
[MS] [已完结]对态密度比较熟悉的朋友帮忙看看，谢谢昂~~ (2/607) wxxvip 2011-05-18 2011-05-18 11:04:00 by jdy19862002
[MS] [已完结]怎样判断掺入的原子起空穴还是载流子作用？ (4/1553) 飘在空中的雨 2011-05-17 2011-05-18 05:49:18 by stractor
[MS] [已完结]CASTEP 点run 后计算 出现状态很慢 (0/532) 飘在空中的雨 2011-05-17 2011-05-17 11:41:20 by 飘在空中的雨
[MS] 优化过程出现严重的震荡 (3/823) qiudong1009 2011-05-16 2011-05-17 10:58:23 by 尹珺加油
[MS] [已完结]free energy(自由能)计算请教 (3/1553) lxrui 2011-05-16 2011-05-17 10:35:51 by lxrui
[MS] 问一个关于dmol计算PDOS的问题。 (4/934) deadbook 2011-04-19 2011-05-17 10:35:25 by deadbook
[MS] [已完结]关于自旋极化的问题 (金币≥10)(5/162) ahu1221 2011-05-12 2011-05-16 20:33:38 by ahu1221
[MS] [已完结]如何将这个分子接上去 (4/678) speio 2011-05-09 2011-05-16 14:35:13 by yaodu
[MS] [已完结]20金币求助一个用MS计算minimizer最小能量的问题 (0/486) speio 2011-05-16 2011-05-16 14:33:55 by speio
[MS] [已完结]CASTEP几何优化计算中断，大侠们帮帮忙啊！ (5/2490) mingflower 2011-05-15 2011-05-16 12:24:36 by yaodu
[MS] [已完结]寻找做过萃取类模拟的虫虫 (2/402) xiaoyue1610 2011-05-06 2011-05-16 11:21:51 by xiaoyue1610
[MS] [已完结]Dmol优化时smearing调节的范围大概是多少啊 (2/789) xiaojivan 2011-05-15 2011-05-16 11:12:53 by xiaojivan
[MS] [已完结]关于material studio中怎样处理？ (4/1103) 444239852 2011-05-11 2011-05-16 09:33:20 by 444239852
[MS] MS计算时无计算栏 (3/599) kuner 2011-05-15 2011-05-15 22:45:49 by yaodu
[MS] [已完结][关贴]castep优化不收敛，请问该怎么办？ (4/2856) cshcgy 2011-05-14 2011-05-15 21:15:57 by cshcgy
[MS] [已完结]收敛问题，新人求助，多谢各位高手积极解答 (1/538) 露馅大水饺 2011-05-14 2011-05-15 10:08:26 by 露馅大水饺
[MS] [已完结]用MS，如何把Cu原子替换ZnO中的一个Zn原子 (3/1360) cxchsz 2011-05-11 2011-05-15 09:38:22 by yoyo103108
[MS] [已完结]如何分析此图 (2/709) nwx_ky 2011-05-14 2011-05-14 22:03:21 by nwx_ky
[MS] [已完结]CASTEP计算弹性常数总出错，恳请前辈们指正解答 (金币≥1)(6/115) wxxvip 2011-05-13 2011-05-14 21:35:33 by wxxvip
[MS] [已完结]如何将CASTEP算出的差分电荷密度用等高线图表示出来？ (1/1175) ni11222 2011-05-14 2011-05-14 19:31:44 by ni11222
[MS] [已完结]castep出错，弹出结果文件，求朋友们分析下，万分感谢，在线等 (3/730) wxxvip 2011-05-14 2011-05-14 18:03:16 by yaodu
[MS] 【重点讨论】一个氧空位表面charge是不是要设为2（参与讨论就有机会赢取大礼包）    ( 1 2 3 ) (评阅+1) (27/4769) jdy19862002 2009-12-23 2011-05-14 15:35:28 by stractor
[MS] [已完结]layer/surface/sheet (1/566) zhuguomin1 2011-05-14 2011-05-14 15:07:44 by stractor
[MS] [已完结]分析出错！！！！！比较急~~~ (3/616) yoyo103108 2011-05-12 2011-05-14 14:22:00 by qiudong1009
[MS] [已完结]计算表面缺陷时 charge 和自旋极化的设置问题！！！ (0/620) yoyo103108 2011-05-14 2011-05-14 13:23:46 by yoyo103108
[MS] [已完结]带电缺陷 自选极化 (1/626) yoyo103108 2011-05-13 2011-05-14 10:06:04 by 贺仪
[MS] [已完结]加上自旋优化为何不收敛？ (3/1381) hhp102 2011-05-01 2011-05-14 09:48:26 by yoyo103108
[MS] 【求助成功】请问perl怎么删除一个set呢？谢谢！ (3/668) 水之源 2011-04-07 2011-05-14 08:43:18 by 水之源
[MS] [已完结]求助，关于半导体。 (6/1175) dragon0508 2011-05-13 2011-05-13 23:59:03 by stractor
[MS] 为什么没有做Sc 掺杂 TiO2 的第一性原理计算 (3/970) 飘在空中的雨 2011-05-11 2011-05-13 20:54:40 by lishufei
[MS] [已完结]帮忙解释一下 (1/343) 花枝笑雨 2011-05-13 2011-05-13 19:37:24 by njuswj
[MS] [已完结][关贴]过渡态搜索问题，急求~ (1/479) yrx19861111 2011-05-13 2011-05-13 17:30:54 by ahu1221
[MS] [已完结]用materials studio软件做SnO2对CH4的吸附 (0/528) westaok 2011-05-13 2011-05-13 15:13:07 by westaok
[MS] [已完结][关贴]MatServer.exe占用内存较高 (0/1091) 水之源 2011-05-13 2011-05-13 14:18:27 by 水之源
[MS] 【求助】关于形成能的计算 (2/803) Lucky2681 2011-03-22 2011-05-13 11:36:45 by 火柴天堂7909
[MS] [已完结]求助一下PbO2的空间群和各个参数，谢谢。 (1/390) guolianshun 2011-05-12 2011-05-13 11:35:23 by pengjiutian
[MS] 【求助】关于做电子密度图的问题 (2/706) clap_pl 2010-12-13 2011-05-13 11:04:22 by 274273
[MS] [已完结]求助！关于晶体的半导体性质。 (5/1431) dragon0508 2011-05-10 2011-05-13 10:59:09 by lxj1989
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