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[热点] 遇见不省心的家人很难过 otani 2026-02-09 刚刚
[MS] 【求助】表面吸附原子的位置问题！ (9/2924) shxincui518 2010-10-25 2011-07-03 18:32:37 by yuhuashi1
[MS] [已完结]出现了这个错误 (4/834) fagege2010 2011-04-20 2011-07-03 16:32:15 by 三尺之外
[MS] [已完结]帮忙看一下原子位置参数 (评阅+1) (0/606) ping888 2011-07-03 2011-07-03 10:58:28 by ping888
[MS] [已完结]什么是XRD精修？ (评阅+1) (2/843) freshman8185 2011-07-02 2011-07-03 09:39:46 by freshman8185
[MS] [已完结]求reflex相关的文献 (评阅+1) (2/360) freshman8185 2011-07-02 2011-07-03 09:35:34 by freshman8185
[MS] [已完结]Bi2Te3掺杂Sb的结构建立问题。 (评阅+1) (0/395) baldeagle109 2011-07-02 2011-07-02 14:45:38 by baldeagle109
[MS] [已完结]做几何优化，状态迟迟不出现，错误信息是什么？ (4/937) 飘在空中的雨 2011-05-18 2011-07-02 05:31:09 by yindeqiang
[MS] [已完结]气体如何优化? (评阅+1) (7/1607) xtrlcj 2011-06-28 2011-07-01 14:57:13 by xtrlcj
[MS] 【求助】XRD refinement (2/544) mountwar 2011-03-29 2011-07-01 10:00:17 by iamikaruk
[MS] [已完结]ms计算服务器选择 (6/1452) zjuwafer 2011-06-26 2011-06-30 22:47:56 by lbambool
[MS] [已完结]求晶胞的密度 (5/868) iamkz 2011-06-29 2011-06-30 18:06:33 by gavinliu7390
[MS] [关贴]【求助】有做二氧化钛吸附第一性原理计算的吗    ( 1 2 ) (12/1377) guolianshun 2010-08-15 2011-06-30 17:06:15 by chensxxy
[MS] 【求助】晶界优化出错求助 (4/1132) singlecat 2010-11-15 2011-06-30 16:06:38 by userhung
[MS] [已完结]结构优化参数设置    ( 1 2 ) (18/1778) xiaxia890927 2011-06-23 2011-06-30 09:31:24 by linglixia
[MS] [已完结]晶格优化K点可以和计算能带的K点不一样吗 (0/588) wuhen997 2011-06-29 2011-06-29 21:11:39 by wuhen997
[MS] [已完结]linux下MS5安装问题 (3/475) yh3166 2011-04-25 2011-06-29 16:17:52 by xianyuanshan
[MS] 请问如何用MS给纳米线建模？ (0/1588) wangziyan3 2011-06-29 2011-06-29 09:17:46 by wangziyan3
[MS] 【求助】小分子扩散 (7/942) 5858797 2010-11-23 2011-06-28 19:58:50 by rzhheart
[MS] [已完结]maiterias-studio 运行出现方法作用于对象失败 (3/915) 李翔1986 2011-06-28 2011-06-28 17:40:05 by luobenhua
[MS] [已完结]弹性系数 杨氏模量的计算 (0/2485) 李佳佳佳 2011-06-28 2011-06-28 11:15:40 by 李佳佳佳
[MS] [已完结]用origin怎么画（110）晶面的电荷密度图 (1/1651) yss2790 2011-05-17 2011-06-28 11:01:23 by xf8349756
[MS] 关于材料的熔点 (0/1363) 尚武精神 2011-06-28 2011-06-28 10:21:55 by 尚武精神
[MS] [已完结]吸附 (8/1748) liuhongge1 2011-05-16 2011-06-27 22:06:19 by yoyo103108
[MS] [已完结]ICSD中提供的原子坐标是分数坐标 还是笛卡尔坐标 (金币≥1)(0/38) 杨寻 2011-06-27 2011-06-27 10:00:03 by 杨寻
[MS] [已完结]求助：第一原理非晶建模 (金币≥50)(4/98) rainbow369 2011-06-26 2011-06-27 09:36:51 by rainbow369
[MS] [已完结]电导率的第一性原理计算 (3/1855) frank_zhan 2011-06-26 2011-06-27 01:45:07 by racoon01
[MS] [已完结]CASTEP寻找过渡态的问题 (1/662) wwgaochao 2011-06-23 2011-06-26 22:32:24 by cathy-zhang7777
[MS] [已完结]态密度（DOS）图能提供反键信息吗？ (评阅-8) (金币≥50)(4/60) yuanleishi 2011-06-25 2011-06-26 20:26:29 by identation
[MS] [已完结]能带数 (1/571) zhangbin7526 2011-06-19 2011-06-26 18:41:19 by goldenfisher
[MS] [已完结][关贴]有机酸/碱反应-----怎样可以比较好的模拟？ (0/352) arisun8818 2011-06-26 2011-06-26 15:43:38 by arisun8818
[MS] [已完结]CaCu3Ti4O12的ICSD (评阅+1) (2/471) yh3166 2011-06-25 2011-06-26 15:02:13 by dxcharlary
[MS] [已完结]求助 (0/279) xiaokun_0086 2011-06-26 2011-06-26 11:43:15 by xiaokun_0086
[MS] [已完结]Bandstruture.xcd中掺杂后能带图的上方怎么没有禁带宽度值？不惨的反而有 (6/1284) liuy1235 2011-06-24 2011-06-25 18:47:43 by 飘在空中的雨
[MS] 【求助】掺杂后算得能量的禁带宽度为0.004ev,是不是成导体了，怎么这么小？ (9/1760) liuy1235 2011-04-03 2011-06-25 18:00:54 by vv_china
[MS] 【求助】COSTEP计算的时候，禁带宽度的值在那可以知道？ (8/1169) liuy1235 2011-03-10 2011-06-25 13:04:37 by liuy1235
[MS] [已完结]MS5.0无法在Win7上计算 (2/334) li_jinchun 2011-06-21 2011-06-25 10:36:06 by souledge
[MS] [已完结]catsep精度设为ultrafine后，截断能和Kpoint还是小于文献中精度，怎么回事？ (评阅+1) (2/524) 小小正钛 2011-06-25 2011-06-25 10:29:02 by souledge
[MS] [已完结]关于 DNP basis sets比高斯基组精确的问题 (1/335) zhuguomin1 2011-06-24 2011-06-24 17:55:54 by zhuguomin1
[MS] [已完结]Dmol 频率计算出错 (1/422) zhaojy008 2011-06-24 2011-06-24 10:55:35 by zhaojy008
[MS] [已完结]请问有人能够贴一个在多节点并行机上运算成功的.castep输出文件吗？ (1/1050) 04nylxb 2011-06-23 2011-06-24 10:34:45 by 04nylxb
[MS] [已完结]CSTEP能否同时在体系中加入电子和空穴？ (0/348) 0506nan 2011-06-24 2011-06-24 09:41:54 by 0506nan
[MS] [已完结]请问MS-linux-cluster安装之后无法并行的问题？ (5/1821) 04nylxb 2011-06-21 2011-06-23 17:15:33 by 04nylxb
[MS] [已完结]有关频率的问题 (5/1061) convenient 2011-06-22 2011-06-23 11:07:58 by dxcharlary
[MS] 怎样识别电子共轭？ (0/492) yufengjiayou 2011-06-23 2011-06-23 10:05:34 by yufengjiayou
[MS] [已完结]求助 (5/527) xiaokun_0086 2011-06-20 2011-06-22 13:43:01 by xiaokun_0086
[MS] [已完结]导入cif文件，已有结构，但是在计算时报错说：data block yy contains bond di (5/1196) yangger 2011-06-21 2011-06-22 10:05:35 by 贺仪
[MS] [已完结]求助MnO（100）面的cif (0/221) sdxuz 2011-06-22 2011-06-22 08:48:00 by sdxuz
[MS] [已完结]错误信息 (1/338) 飘在空中的雨 2011-06-21 2011-06-22 00:36:58 by zhouhui2009
[MS] [已完结]求dmol3,计算过度态的例子，或者教程 (2/454) qkzh3091 2011-06-21 2011-06-21 22:01:41 by charityqi
[MS] [已完结]MS5.0在win xp，4核下只能运行1核？ (金币≥1)(6/105) csyao 2011-06-18 2011-06-21 22:00:16 by charityqi
[MS] [已完结]+U (7/929) nwx_ky 2011-06-14 2011-06-21 20:16:28 by 小草阳
[MS] [已完结]重装软件后，如何将原来计算的内容导入新的CASTEP里？ (5/437) 飘在空中的雨 2011-06-15 2011-06-21 16:44:12 by 贺仪
[MS] [已完结]用超晶胞计算出来的态密度是不是还要除以电子数。 (4/1115) 小小正钛 2011-06-20 2011-06-21 16:04:08 by 小小正钛
[MS] [已完结]关于MS4.3方法作用于对象失败的问题，望高手解答！ (0/264) fanmiaohai 2011-06-21 2011-06-21 15:38:03 by fanmiaohai
[MS] 【讨论】无机无机杂合物半导体计算讨论 (17/1838) lbambool 2010-12-14 2011-06-21 12:00:01 by nodding
[MS] [已完结]HOMO和 LUMO轨道 (1/880) 一木一木 2011-06-20 2011-06-21 10:57:07 by buct2010
[MS] [已完结]求MS5.5的license (3/564) oakustc 2011-06-11 2011-06-20 17:07:35 by guohuazhong
[MS] 【求助】Materials Studio 5.0 linux 运行出错 (4/1359) suyi204601 2010-10-23 2011-06-20 16:52:31 by 04nylxb
[MS] [已完结]怎么少了一个原子 (0/247) convenient 2011-06-20 2011-06-20 13:25:28 by convenient
[MS] 【求助】castep计算问题 (3/784) ramble81 2011-01-10 2011-06-20 13:04:34 by lixiao85
[MS] [已完结]机器配置问题 (4/1084) bschen 2011-06-09 2011-06-20 10:25:21 by lbambool
[MS] [关贴]计算 (0/406) 朱雪婷 2011-06-20 2011-06-20 09:16:09 by 朱雪婷
[MS] [已完结]电子密度等值线 (4/1327) convenient 2011-06-10 2011-06-20 07:07:16 by yindeqiang
[MS] [已完结]Tio_2晶体表面去掉一个氧原子形成一个氧空位后怎么算自旋极化？ (1/435) haozi5959 2011-06-19 2011-06-19 23:10:37 by hn19870519
[MS] 【求助】请问castep软件能否计算钢铁材料中的固溶现象 (2/334) aelei 2010-10-31 2011-06-19 14:41:51 by aelei
[MS] [已完结]关于截断能的单位 (2/1459) hhshimin 2011-06-19 2011-06-19 10:37:45 by lvjian8596
[MS] [已完结]ms中能否实现去掉或者增加一个原子d态中的一个电子 (8/1598) longwangye 2011-06-17 2011-06-19 09:44:27 by longwangye
[MS] [已完结]对置换固溶体建模应该怎么做？直接占位率出现问题 (1/434) 小小正钛 2011-06-18 2011-06-18 22:41:56 by souledge
[MS] [已完结]castep怎么计算最高占据态和最低未占据态？ (1/1473) frank_zhan 2011-06-17 2011-06-18 22:36:07 by souledge
[MS] [已完结]晶格参数优化的算法是什么啊，有没有地方设置让它精度低一点，跑得快一点？ (1/541) 小小正钛 2011-06-18 2011-06-18 22:32:56 by souledge
[MS] [已完结]模拟计算中，晶体结构与性能的关联 (0/218) zhangdy 2011-06-18 2011-06-18 12:31:52 by zhangdy
[MS] [已完结]关于杂化轨道的一些疑问 (0/399) nihao000 2011-06-18 2011-06-18 11:25:24 by nihao000
[MS] [已完结]关于德拜法计算固体的热力学性质疑问    ( 1 2 ) (11/2762) lgl615427 2011-04-29 2011-06-17 23:56:16 by 陈学平89
[MS] [已完结]去质子化能 (0/1253) 一木一木 2011-06-17 2011-06-17 08:34:21 by 一木一木
[MS] [已完结]态密度的partial是灰色的，什么原因引起的啊 (3/1264) 小小正钛 2011-06-16 2011-06-17 06:16:36 by 小小正钛
[MS] Dmol3是周期性的？ (2/753) aaq2800 2011-06-16 2011-06-16 14:18:14 by aaq2800
[MS] [已完结]MS4.3的初级问题 (0/174) fanmiaohai 2011-06-16 2011-06-16 10:45:42 by fanmiaohai
[MS] [已完结]DOS 分析    ( 1 2 ) (16/1856) huangliwu84 2011-05-23 2011-06-16 08:58:24 by 贺仪
[MS] [已完结]共同探讨电荷密度沿一个方向的做法！ (0/179) shxincui518 2011-06-15 2011-06-15 17:09:18 by shxincui518
[MS] [已完结]寻求原子坐标 (4/686) hhp102 2011-05-31 2011-06-15 15:14:49 by hhp102
[MS] [已完结]利用castep模块计算金属表面吸附带电离子，电荷怎么设置？ (2/1234) cshcgy 2011-06-13 2011-06-15 14:21:44 by chensxxy
[MS] [已完结]material-studio可以进行电学分析吗？ (2/833) z_2005 2011-06-14 2011-06-15 09:47:04 by z_2005
[MS] 【求助】MS5.5集群安装问题 (6/1076) 学员z4kOrB 2011-03-15 2011-06-15 08:50:37 by jluzzw
[MS] [已完结]请问在MS计算时，配位键怎么划？ (0/1056) robin925a 2011-06-14 2011-06-14 21:13:16 by robin925a
[MS] [已完结]两个带负电荷的原子能否成键 (1/673) xtrlcj 2011-06-13 2011-06-14 00:35:33 by cavediger
[MS] [已完结]这个提示是什么意思？ (2/918) qiudong1009 2011-06-11 2011-06-13 23:18:06 by zjuer
[MS] [已完结]求助，哪里有用Castep计算大体系的计算平台 (3/432) lhyljz 2011-06-13 2011-06-13 21:49:03 by dxcharlary
[MS] [已完结]materials-studio可以计算聚合物的结晶形态或者动力学过程吗 (2/664) wesley67 2011-06-12 2011-06-13 18:12:56 by xujc1983
[MS] [已完结]求助：文件传不回来 (4/269) ping888 2011-04-24 2011-06-13 09:36:49 by ping888
[MS] 全氟化合物的计算 (0/463) convenient 2011-06-12 2011-06-12 09:52:03 by convenient
[MS] [已完结]MS中的能量 (金币≥2)(0/102) csyao 2011-06-11 2011-06-11 20:37:35 by csyao
[MS] [已完结]ms中自由能与温度的关系 (金币≥1)(2/71) csyao 2011-06-07 2011-06-11 20:00:20 by yujia1983
[MS] [关贴]是秘密吗？？？ (0/250) yufengjiayou 2011-06-11 2011-06-11 16:56:02 by yufengjiayou
[MS] [已完结]求助铌酸钾的晶格常数 (0/216) jackapple 2011-06-11 2011-06-11 16:19:08 by jackapple
[MS] [已完结]MS 继续求助 (0/251) haixiao686 2011-06-11 2011-06-11 15:44:51 by haixiao686
[MS] [已完结]能级图与光电子谱如何对照 (1/333) lvxin007 2011-06-10 2011-06-10 12:08:06 by lvxin007
[MS] [已完结]关于CASTP中的问题？ (3/1169) 444239852 2011-05-29 2011-06-10 11:31:42 by convenient
[MS] [已完结]PC向服务器提交任务时的赝势文件？ (4/999) xmc8362 2011-06-09 2011-06-10 11:09:52 by xmc8362
[MS] 【求助】水滑石(LDH,Layered double hydroxide)用MS模拟时的分数坐标 (14/3648) xjxj1xjxj 2010-11-12 2011-06-10 10:55:53 by piaocjj
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