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[热点] 有院领导为了换新车,用横向课题经费买了俩车 瞬息宇宙 2026-02-10 刚刚
[MS] 【求助】Castep中如何计算自由原子的能量?    ( 1 2 ) (10/2688) freshman8185 2010-12-23 2011-03-12 10:50:33 by freshman8185
[MS] 【求助】dmol过渡态计算问题 (1/537) charityqi 2011-03-10 2011-03-12 08:47:58 by liancsh
[MS] 【求助】MS 5.5 中DFT-D算法应该怎么算? (2/877) xiaocuicui 2011-03-11 2011-03-11 22:44:00 by xiaocuicui
[MS] 【求助】请问不同版本的MSwindow和linux 可以一起用吗? (3/349) lynarcissusly 2011-03-11 2011-03-11 22:15:06 by qasd
[MS] 【求助】MS 计算时电荷数怎么设? (0/826) yshl7237 2011-03-11 2011-03-11 21:46:03 by yshl7237
[MS] 【其他】算过不同浓度掺杂的同志请看过来 (2/383) 张丽英 2011-03-01 2011-03-11 20:04:04 by zhanghuiyuan
[MS] 【求助】某晶面的差分电荷分布图怎么得到?态密度怎么积分的? (6/1875) liuy1235 2011-03-11 2011-03-11 18:20:49 by liuy1235
[MS] 【求助】大家看看谁有这本书,许诺100金币 (2/373) yrx19861111 2011-03-11 2011-03-11 16:39:41 by hakuna
[MS] 【求助】DMOL3中TS search中断后能否继续计算? (8/2018) 紫石婴宁 2011-03-10 2011-03-11 14:25:48 by mountwar
[MS] 【求助】锐钛矿相TiO2掺F的掺杂浓度? (1/245) freshman8185 2011-03-11 2011-03-11 14:02:34 by lfzlpd
[MS] 【求助】晶体结构图 (1/429) mountwar 2011-03-08 2011-03-11 12:38:55 by lxj1989
[MS] 【求助】过渡态搜索进行不下去? (3/926) charityqi 2010-11-27 2011-03-10 21:32:25 by liancsh
[MS] 【求助】请教 在MS中是否可以对 不同的部分使用不同的力场 (2/491) blueybz 2011-03-03 2011-03-10 21:30:47 by qasd
[MS] 【求助】服务器的系统安装 (0/246) sss3012 2011-03-10 2011-03-10 20:36:19 by sss3012
[MS] [关贴]【求助】能带图横坐标中为什么总有特殊的K点? (1/342) zcntydyd 2011-03-02 2011-03-10 19:53:58 by wyding
[MS] 【求助】ms运行时出错,与gateway有关 (3/1218) wunianleng 2011-03-10 2011-03-10 16:34:47 by 5858797
[MS] 【求助】主节点断了 (5/386) zhenfeili 2011-03-10 2011-03-10 11:09:35 by zhenfeili
[MS] 【求助】计算得到半导体结构能带全部在费米能级以下,请高手分析,有价值回复重奖 (12/2401) ljjhb1 2011-03-09 2011-03-10 11:06:22 by ljjhb1
[MS] 【求助】态密度图横轴坐标能量范围如何设定 (5/1908) purewater2715 2011-03-09 2011-03-10 09:21:07 by qiudong1009
[MS] 【求助】没有pDOS (7/1578) zhenfeili 2011-03-06 2011-03-09 21:51:04 by zhenfeili
[MS] 【求助】牛人 前辈请进 如何用MS计算两个半导体界面的性质 包括能量和光谱 (0/155) xingkai2569 2011-03-09 2011-03-09 21:48:37 by xingkai2569
[MS] 【求助】计算时能量震荡怎么办 (1/405) yshl7237 2011-03-09 2011-03-09 15:02:18 by jiewei
[MS] 【求助】CCDC程序有何作用 (0/461) mountwar 2011-03-09 2011-03-09 10:22:14 by mountwar
[MS] 【求助】MS5.0并行安装出错了 (5/1331) pingfan2010 2010-11-19 2011-03-09 09:40:13 by galiha
[MS] 【求助】CASTEP计算立方晶胞弹性性质,结果剪切模量以及杨氏模量随着压力的增大而减小 (3/2394) meimeidyh 2011-02-23 2011-03-08 20:49:42 by babaleo
[MS] 【求助】请问在MS的AC模块中怎么调用Dreiding.off力场,AC只识别.frc为后缀的力场。谢 (0/901) zhangyu08 2011-03-08 2011-03-08 18:27:33 by zhangyu08
[MS] [关贴]【求助】紧急求助 (1/207) convenient 2011-03-08 2011-03-08 14:14:29 by sunyang1988
[MS] 【求助】Warning in parameters_read+优化不能收敛!! (3/412) qiudong1009 2011-03-08 2011-03-08 10:15:55 by fzx2008
[MS] 【求助】很急!!!请各位高手帮忙解决一下! (3/536) 05111034 2010-07-16 2011-03-08 09:33:11 by qiudong1009
[MS] 【求助】一个Alq3晶体结构 (0/316) nww346 2011-03-08 2011-03-08 09:06:34 by nww346
[MS] 【求助】l联络错误 (0/871) zhenfeili 2011-03-08 2011-03-08 08:50:57 by zhenfeili
[MS] 【求助】core level spectroscopy 是什么 (1/705) Excaliburn 2011-03-07 2011-03-07 21:09:44 by identation
[MS] 【求助】MS怎么看能带在是空间的投影? (0/250) 贺仪 2011-03-07 2011-03-07 17:08:41 by 贺仪
[MS] 【求助】为什么用outmol中数据画出的能带和从能带图中输出数据得到的结果不同?? (1/410) ddang100 2011-03-04 2011-03-07 16:30:01 by ddang100
[MS] 【其他】自由能变化计算 (4/699) 5858797 2010-11-23 2011-03-07 15:46:33 by liujuan8704
[MS] 【求助】MS老是出现不明错误?高手帮帮忙吧。。。 (1/362) freshman8185 2011-03-07 2011-03-07 10:07:28 by zzy870720z
[MS] 【求助】DMol3的说明给了两种TS的方法,有什么区别 (1/534) xiaojivan 2011-01-23 2011-03-07 08:40:11 by liancsh
[MS] [关贴]【分享】请问Casetep中内参数u是直接看到的还是算出来的,如果是算出来的,怎么算? (评阅-2) (0/173) jhniu8233 2011-03-06 2011-03-06 21:19:15 by jhniu8233
[MS] 【求助】spilling parameter如何翻译? (4/417) Hector8275 2011-01-10 2011-03-06 11:28:40 by D调幻想
[MS] 【求助】关于Dielectric function的计算与实际测量的介电频谱的关系 (7/1817) Hector8275 2011-03-01 2011-03-06 11:27:53 by D调幻想
[MS] 【求助】MS 只能安装在系统盘吗 (5/652) Excaliburn 2011-03-05 2011-03-06 11:13:13 by liancsh
[MS] 【求助】求论文《應用第一原理密度泛函理論研究鍍在過渡金屬上的單層石墨烯的能帶結構 (0/338) daybreak916 2011-03-05 2011-03-05 23:16:39 by daybreak916
[MS] 【求助】MS软件对显卡要求高吗?服务器需要再配显卡吗? (6/1398) avast2009 2011-03-04 2011-03-05 22:26:25 by dxcharlary
[MS] 【求助】审稿人的意见是什么意思,怎么解决? (18/1652) iamkz 2011-03-02 2011-03-05 19:47:38 by feass2
[MS] 【求助】CASTEP-dynamic任务忽然失败,请帮忙分析下原因! (0/601) houfeifan 2011-03-05 2011-03-05 19:14:49 by houfeifan
[MS] 【求助】文献中这样构筑晶体是怎么操作的?(附图)    ( 1 2 ) (12/1409) proton00 2011-02-28 2011-03-05 12:11:56 by fineren
[MS] 【求助】materials studio 能做锂电池放电平台预测吗? (3/925) dingwei8108 2011-01-08 2011-03-05 10:45:50 by hello8128
[MS] 【求助】计算层错能 (3/951) stonesu 2010-06-22 2011-03-05 10:13:18 by gaods101@163
[MS] 【求助】大基组和小基组是如何区分的? (2/762) freshman8185 2011-03-04 2011-03-04 22:51:18 by stractor
[MS] 【求助】Mulliken电荷分布总和不为0是什么原因 (7/2052) liuhuan2017 2010-04-08 2011-03-04 20:31:05 by liujuan8704
[MS] 【求助】向各位大侠请教个MS操作的问题? (0/155) zh060702012 2011-03-04 2011-03-04 19:17:29 by zh060702012
[MS] 【求助】请教合金的建模问题 (0/455) shxincui518 2011-03-04 2011-03-04 15:47:44 by shxincui518
[MS] 【求助】DFT计算问题 (3/428) mountwar 2011-03-04 2011-03-04 14:41:11 by zzy870720z
[MS] 【求助】MS,Forcite里面有个pressture (2/446) 5858797 2011-03-04 2011-03-04 10:23:29 by wp2178337
[MS] 【求助】如何分析HOMO和LUMO (0/2237) lacyfxq 2011-03-04 2011-03-04 08:11:26 by lacyfxq
[MS] 【求助】Linux下MS的安装过程 (5/739) sss3012 2010-11-25 2011-03-03 21:21:56 by youzhizhe
[MS] 【求助】ms中amorphous cell的设置问题 (1/959) bluecmy 2011-03-03 2011-03-03 19:44:31 by qasd
[MS] 【求助】不同掺杂浓度的碳管比较 总能量有意义吗? (9/999) zhanglx8632 2011-03-02 2011-03-03 19:36:16 by 天之骄兔
[MS] 【求助】三种元素形成的化合物能计算弹性模量吗? (0/262) niexiaowu 2011-03-03 2011-03-03 19:01:43 by niexiaowu
[MS] 【求助】不小心删除了MS的任务文件,服务器上还在算 (0/371) xianggui7895 2011-03-03 2011-03-03 16:48:48 by xianggui7895
[MS] [专家] 【求助】vector velocity是什么东西? (0/632) dxcharlary 2011-03-03 2011-03-03 10:49:30 by dxcharlary
[MS] 【求助】Linux系统下MS4.4 (2/494) sss3012 2011-03-02 2011-03-03 10:28:33 by youzhizhe
[MS] 【求助】Mulliken charge 与formal ionic charge (2/440) Hector8275 2011-03-02 2011-03-03 10:07:50 by lzl8181
[MS] 【求助】求固态P和P2O5的晶格常数和原子坐标 (3/759) kangli8165 2011-02-22 2011-03-02 22:08:32 by kangli8165
[MS] 【求助】突然出现程序消失但依然占据CPU的情况? (3/381) freshman8185 2011-03-02 2011-03-02 21:08:28 by zzy870720z
[MS] 【求助】安装后的MS不能计算是怎么回事 (2/397) qi-cheng 2011-03-02 2011-03-02 20:41:27 by mayim2008
[MS] 【求助】ms5在win7系统上怎么安装 (1/274) wuyan070987 2011-02-28 2011-03-02 19:29:16 by hw_zhong
[MS] 【求助】如何Create the asymmetric unit cell? (0/224) mountwar 2011-03-02 2011-03-02 14:23:41 by mountwar
[MS] 【求助】dmol结果中轨道能级的零参考点是真空能级吗? (0/510) shengfengyu 2011-03-02 2011-03-02 10:12:21 by shengfengyu
[MS] 【求助】如何计算比较相同分子两种构象的稳定性 (3/1918) mountwar 2011-03-01 2011-03-02 08:15:19 by cortny
[MS] 【求助】BN纳米片超晶格中的磁性! (1/319) lacyfxq 2011-02-27 2011-03-01 22:25:41 by 漂浮的萸
[MS] 【求助】求ms建立正确石墨烯模型的能带图 (2/595) 442175020 2011-02-27 2011-03-01 20:39:02 by 442175020
[MS] 【求助】请教固态磷P的笛卡尔坐标 (0/189) kangli8165 2011-03-01 2011-03-01 20:27:45 by kangli8165
[MS] 【求助】normal-conserving prseudopetential (2/369) zhanglx8632 2011-03-01 2011-03-01 16:13:16 by zhanglx8632
[MS] 【求助】如何引用MS帮助文件中的公式 (1/236) shengfengyu 2011-03-01 2011-03-01 15:52:04 by zzy870720z
[MS] 【求助】如何从DOS中看出形成的是西格玛键还是派键? (1/718) xiaojivan 2011-02-27 2011-03-01 15:33:27 by syongui
[MS] 【求助】计算失败和下载失败 (3/655) gengw07 2011-03-01 2011-03-01 11:47:15 by zyxme
[MS] 【求助】关于径向分布的做法 (0/293) mmily418 2011-03-01 2011-03-01 10:52:27 by mmily418
[MS] 【求助】谁有AgO、AgO2、ZnF2的结构数据不? (金币≥10)(1/20) wanqixin1982 2011-03-01 2011-03-01 09:37:41 by anin
[MS] 【求助】分子几何结构优化 (5/895) mountwar 2011-02-28 2011-02-28 23:13:57 by mountwar
[MS] 【求助】求material studio中help里的一个经典例子 (0/1049) freshman8185 2011-02-28 2011-02-28 17:01:49 by freshman8185
[MS] 【求助】分子ESPD atomic charges计算 (0/394) mountwar 2011-02-28 2011-02-28 16:36:43 by mountwar
[MS] 【求助】利用DMol分子动力学怎么得到分子之间的径向分布距离 (1/381) mmily418 2011-02-28 2011-02-28 14:39:29 by mountwar
[MS] 【求助】discover在结构结构后保存文件时出错,什么原因? (1/243) yxl7016 2010-10-19 2011-02-28 13:47:08 by yxl7016
[MS] 【求助】gaussian模块计算出错 (0/377) mountwar 2011-02-28 2011-02-28 10:36:54 by mountwar
[MS] 【求助】请问计算单点能时用不用加磁? (13/1188) 薛金祥 2010-12-11 2011-02-27 23:23:25 by chenweiguang
[MS] 【求助】求固态磷P和五氧化二磷P2O5的空间群和不等价原子坐标 (2/564) kangli8165 2011-02-27 2011-02-27 22:09:43 by ahehyh
[MS] 【求助】origin画能带图的具体操作步骤! (2/1047) lacyfxq 2011-02-27 2011-02-27 16:45:14 by 贺仪
[MS] 【求助】dmol3运行错误 (4/1120) mountwar 2011-02-26 2011-02-26 18:42:00 by mountwar
[MS] 【求助】分析电荷转移 (6/2207) 小小兰歆 2011-02-25 2011-02-26 10:49:33 by sunyang1988
[MS] 【求助】castep计算PHONONS需要注意哪些参数设置 (1/581) dreamboat 2011-02-18 2011-02-25 14:55:55 by 冰雨雾
[MS] 【求助】关于EA和IP的问题 (1/1115) 小小兰歆 2011-02-22 2011-02-25 12:38:00 by ym23
[MS] 【求助】FIT和W99 (0/204) mountwar 2011-02-25 2011-02-25 10:11:01 by mountwar
[MS] 【求助】弱弱的问一个:怎么build一个密排六方的镁Mg晶胞? (2/1366) dyc_2008 2011-02-24 2011-02-25 08:49:36 by 薛金祥
[MS] 【求助】fcc 布里渊区 特殊K点坐标 (5/2135) gfunction 2011-02-23 2011-02-24 21:05:44 by bingmou
[MS] 【求助】紧急求助 (0/145) convenient 2011-02-24 2011-02-24 21:03:13 by convenient
[MS] 【求助成功】MS5.0 gateway问题 (2/884) amition 2011-02-24 2011-02-24 20:10:23 by amition
[MS] 【求助】MS4.4安装过程出现error1721 (0/696) ican 2011-02-24 2011-02-24 19:34:02 by ican
[MS] 【求助】castep弹性常数计算思路 (1/1057) seek269 2011-02-24 2011-02-24 19:27:08 by seek269
[MS] 【求助】gaussican 模块计算出现的问题 (0/194) mountwar 2011-02-24 2011-02-24 14:49:36 by mountwar
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