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[热点] 依托企业入选了国家启明计划青年人才。有无高校可以引进的。 我是勇敢牛牛 2026-02-11 刚刚
[MS] 【求助】安装MS5.0 for linux的问题,请帮忙解决    ( 1 2 ) (12/1855) snowmami 2010-05-27 2010-05-28 11:36:39 by lono75
[MS] 【求助】linux下dmol3任务失败,关于/bin/rm cannot remove the directory..... (金币≥50)(3/43) chenggong2008 2010-05-27 2010-05-28 11:33:16 by 163.com
[MS] 【求助】MS晶体建模里的分数坐标如何确定?    ( 1 2 ) (11/4571) g_xq96 2010-05-24 2010-05-28 11:29:08 by souledge
[MS] 【求助】北京科技大学的 MS 版权 (4/577) sss3012 2010-05-27 2010-05-28 11:25:20 by sss3012
[MS] 【求助】关于LDOS和差分电荷密度 (1/833) yuanfang4123 2010-05-27 2010-05-28 09:29:41 by s20080718
[MS] 【求助】MS计算出错,求教高人指点 (0/224) liuhongge1 2010-05-27 2010-05-27 20:05:32 by liuhongge1
[MS] 【求助】谁是厦大的,用MS的? (9/708) xuexue9990 2010-05-24 2010-05-27 19:04:35 by 04nylxb
[MS] 【求助】晶体结构随温度的变化计算 (8/1683) hedonistful 2010-05-26 2010-05-27 18:52:08 by valenhou001
[MS] 【求助】怎么输入函数或者参数? (3/760) yuanfang4123 2010-05-24 2010-05-27 18:01:36 by acridine
[MS] 【求助】Dmol3虚频的问题 (2/382) 安芝拉 2010-05-27 2010-05-27 16:23:22 by 安芝拉
[MS] 【其他】初学者 (1/350) 天天人间 2010-05-26 2010-05-27 11:25:46 by cenwanglai
[MS] 【求助】求一个material studio最新版的下载链接    ( 1 2 ) (13/3581) rain841230 2009-09-10 2010-05-27 10:53:05 by 秒儿7815
[MS] 【求助】怎么在MS里建立一个类似季铵盐的离子型结构 (4/702) linldq 2010-05-11 2010-05-26 21:14:18 by pumf
[MS] 【求助】Dmol计算问题 (2/385) 278036903 2010-05-25 2010-05-26 20:53:48 by 278036903
[MS] 【求助】关于态密度的问题 (3/723) yangkunspace 2010-05-26 2010-05-26 17:18:26 by yangkunspace
[MS] 【求助】Dmol性质计算如何选择任务 (2/288) shengfengyu 2010-05-25 2010-05-26 11:28:02 by shengfengyu
[MS] 【求助】自旋极化如何选择? (8/2115) shengfengyu 2010-05-24 2010-05-26 11:25:53 by shengfengyu
[MS] 【求助】MS4.4在REDHAT5.0集群上安装出错,附步骤,望高手指正    ( 1 2 ) (16/2389) wangtingyun 2010-04-21 2010-05-26 10:29:32 by yangkunspace
[MS] 【求助】ZnO纳米管键长是否要优化 (6/857) shengfengyu 2010-05-25 2010-05-26 10:02:52 by s20080718
[MS] 【求助】实空间还是倒异空间 (6/1323) 随心意 2010-05-25 2010-05-26 09:21:30 by 随心意
[MS] 【求助成功】磁性单位问题 (6/918) dzhijie 2010-05-25 2010-05-26 08:08:03 by dzhijie
[MS] 【求助】discover非扶手椅型cnt 端口碳处理 (1/208) 574384607 2010-05-25 2010-05-26 08:02:45 by 574384607
[MS] 【求助】在线等如何用castep计算材料在高压下的性质 (3/961) btvipvip 2010-05-24 2010-05-25 23:17:59 by btvipvip
[MS] 【求助】计算表面能 (8/1184) cosmicking 2010-05-20 2010-05-25 21:41:28 by cosmicking
[MS] 【求助】态密度 (1/429) newton3915 2010-05-25 2010-05-25 20:53:43 by s20080718
[MS] 【求助】Castep    ( 1 2 ) (11/1521) lhjms 2010-05-23 2010-05-25 16:35:11 by lhjms
[MS] 【求助】四核的机器 如果要计算80-90个原子的体系 需要多大内存? (9/1642) kpsong 2010-05-23 2010-05-25 15:31:33 by Yelong_Wu
[MS] 【求助】NPT运行后压力怎么仍是0? (4/1188) zhhans77 2010-05-21 2010-05-25 09:51:52 by zhhans77
[MS] 【求助】关于能带结构 (8/1185) wuhongleiz 2010-05-17 2010-05-25 06:44:57 by valenhou001
[MS] 【求助】Discover 提交服务器计算问题 (1/188) jdy19862002 2010-05-24 2010-05-25 00:23:20 by fu19871111
[MS] 【求助】Linux下安装MS (5/959) fu19871111 2010-05-20 2010-05-25 00:07:31 by fu19871111
[MS] 【求助】physica B 写作格式 (9/1393) zmrright 2010-05-16 2010-05-24 21:29:10 by zmrright
[MS] 【讨论】关于用Discover做分子动力学 (8/1340) 77585218358 2009-10-08 2010-05-24 21:05:25 by 574384607
[MS] 【求助】关于表面吸附问题 (1/395) 随心意 2010-05-24 2010-05-24 19:20:19 by 随心意
[MS] 【求助】权重因子 (2/285) newton3915 2010-05-24 2010-05-24 18:43:46 by newton3915
[MS] 【求助】虚频 (2/382) newton3915 2010-05-23 2010-05-24 15:43:07 by spring5908
[MS] 【求助】XRDML格式的怎么打开 (0/3825) s044154lyg 2010-05-24 2010-05-24 15:29:39 by s044154lyg
[MS] 【求助】MS与guassian的区别 (0/266) number1xu 2010-05-24 2010-05-24 15:07:35 by number1xu
[MS] 【求助】计算一个化学键在多少温度下能断裂 (2/1592) freshman8185 2010-05-24 2010-05-24 12:48:12 by freshman8185
[MS] 【求助】MS轨迹文件数据导出 (5/935) binkwei 2010-05-24 2010-05-24 12:06:44 by Tower.Tsu
[MS] 【求助】请教RDF的相关问题-谢谢 (3/594) binkwei 2010-05-12 2010-05-24 11:23:25 by hh19850402
[MS] 【求助】氧吸附的F位怎么固定啊! (2/469) liang7035 2010-05-11 2010-05-24 11:21:03 by hh19850402
[MS] 【求助】分数坐标和笛卡尔坐标的区别? (6/5560) liang7035 2010-05-12 2010-05-24 11:06:34 by hh19850402
[MS] 【求助】90度超交换作用 (0/693) 2008210014 2010-05-24 2010-05-24 10:43:32 by 2008210014
[MS] 【求助】一个图像问题 (0/152) number1xu 2010-05-24 2010-05-24 10:41:46 by number1xu
[MS] 【求助】castep 中的 SCF tolerance (2/4391) dxl_32 2010-05-23 2010-05-24 00:06:40 by dxl_32
[MS] 【求助】声子态密度 (1/1301) newton3915 2010-05-23 2010-05-24 00:06:03 by newton3915
[MS] 【求助】偏聚问题如何设置! (2/282) liang7035 2010-05-23 2010-05-23 22:49:04 by franch
[MS] 【求助】求助castep计算问题? (5/918) lhjms 2010-05-23 2010-05-23 21:03:54 by carlaty
[MS] 【求助】利用轨道能量以及费米能级可以得到费米分布函数 (1/329) zsl_321123 2010-05-23 2010-05-23 20:08:15 by valenhou001
[MS] [关贴]【求助】求助几篇文章 (0/113) bb20052006 2010-05-23 2010-05-23 16:13:04 by bb20052006
[MS] 【求助】自由能的计算 (4/723) charityqi 2010-05-05 2010-05-23 13:14:27 by icyspace
[MS] 【求助】计算MgZn2的能量 (1/356) liangping3881 2010-05-12 2010-05-23 13:07:08 by icyspace
[MS] 【求助】光学性质计算时软件突然关闭 (4/619) lidaoyong 2009-10-01 2010-05-23 13:03:02 by 274273
[MS] 【求助】MS光学性质计算出错 (2/501) zzjzjnb 2009-11-03 2010-05-23 12:57:33 by 274273
[MS] [专家] 【求助】如果想要计算晶体的光学性质选用那个模块比较好? (3/904) dxcharlary 2010-01-22 2010-05-23 12:54:46 by 274273
[MS] 【求助】由ICSD导入到MS中的晶体参数怎么考证是正确的呢? (1/395) 水之源 2010-05-22 2010-05-23 12:51:23 by icyspace
[MS] 【求助】晶体周期性 (7/910) newton3915 2010-05-23 2010-05-23 11:42:55 by newton3915
[MS] 【求助】碳纳米管几何优化 (6/947) newton3915 2010-05-22 2010-05-22 22:49:24 by 163.com
[MS] 【求助】Goodenough-Kanamori-Anderson (GKA)rule (1/1377) 2008210014 2010-05-22 2010-05-22 17:47:06 by y1ding
[MS] 【资源】CASTEP 的官方网站 (金币≥100)(0/43) suman 2010-05-22 2010-05-22 17:17:19 by suman
[MS] 【求助】MS4.3怎么样打开MS4.4的文件 (6/1939) zhou2008xy 2010-05-21 2010-05-22 15:55:53 by homebaby
[MS] 【求助】Castep中SCF中的 empty bands怎么理解 (2/1077) zhou2008xy 2010-05-22 2010-05-22 13:05:03 by wuli8
[MS] 【求助】Fermi energy = Fermi level ? (7/1589) 涅磐BornFirn 2010-05-13 2010-05-22 12:45:28 by wuli8
[MS] 【求助】海森堡模型和 RKKY相互作用 (1/4035) 2008210014 2010-05-22 2010-05-22 09:59:30 by valenhou001
[MS] 【求助】用FullProf做Retiveld精修问题 (2/720) zhang668 2010-05-21 2010-05-22 09:49:43 by juloong
[MS] 【求助】请教关于能带结构的计算结果和设置的不一样 (8/953) 学员0sHCiU 2010-05-13 2010-05-21 23:19:43 by yss2790
[MS] 【求助】castep 能量计算失败!    ( 1 2 ) (12/2575) gongjijun 2010-05-20 2010-05-21 21:28:49 by gongjijun
[MS] 【求助】Sc 和Zr的单点能计算 (5/642) icyspace 2010-05-20 2010-05-21 16:09:15 by icyspace
[MS] 【求助】如何分析DOS图所 (5/2455) shengfengyu 2010-05-19 2010-05-21 14:24:35 by B.C.Wang
[MS] 【求助】求助 MS4.4的password    ( 1 2 ) (11/1134) luoyutian 2010-05-18 2010-05-21 12:41:54 by 水之源
[MS] 【求助】FormalCharge 和 Charge 的具体区别是什么 (2/1750) Tower.Tsu 2010-05-21 2010-05-21 11:21:01 by enola
[MS] 【求助】掺杂建模 (1/1061) 薛金祥 2010-05-21 2010-05-21 10:06:29 by michael1883
[MS] 【求助】如何在dmol中对不同的元素使用不同的基组 (3/977) emma82 2010-05-20 2010-05-21 09:34:27 by emma82
[MS] 【求助】做吸附时参数设置问题! (3/574) liang7035 2010-05-15 2010-05-21 00:11:31 by zmrright
[MS] 【其他】请教P2O5(五氧化二磷)的笛卡尔坐标 (3/569) kangli8165 2010-05-19 2010-05-21 00:08:40 by zmrright
[MS] 【求助】几何优化 (1/412) newton3915 2010-05-20 2010-05-20 23:52:51 by zmrright
[MS] 【求助】求助:空间结构怎么和群对上 (1/221) piao2004ha 2010-05-20 2010-05-20 21:27:17 by awmc2008
[MS] 【求助】求助用MS建界面时,剪切平面时参数如何设置?用Castup模块时,参数的设置 (0/364) xuexue9990 2010-05-20 2010-05-20 20:30:12 by xuexue9990
[MS] [关贴]【求助】偏聚行为! (1/306) liang7035 2010-05-20 2010-05-20 20:27:32 by lei0736
[MS] 【求助】我在MS中,掺杂Y加U值后计算成功!La却不行?(郁闷) (4/1353) yankai131 2010-05-18 2010-05-20 19:07:40 by qgqgrm
[MS] 【求助】Rietveld精修的问题 (2/415) 江海寄余生 2010-05-16 2010-05-20 17:58:26 by zhang668
[MS] 【求助】MS discover 能加水溶液吗,    ( 1 2 3 ) (27/1532) 574384607 2010-04-15 2010-05-20 16:52:16 by 574384607
[MS] 【求助】请高手帮忙看看,派送大红包。dmol3 模块    ( 1 2 ) (18/1938) g_xq96 2010-05-09 2010-05-20 15:13:39 by 木易金豆
[MS] 【求助】MS能将晶胞中原子组成的四面体(八面体)加上透明的面成为立体图吗? (3/1881) xinqing98 2010-05-19 2010-05-20 14:15:08 by yznian
[MS] 【求助】声子的分波态密度 (1/732) newton3915 2010-05-20 2010-05-20 13:40:11 by lfhuang
[MS] [关贴]【求助】如何计算超额吸附量 (1/2352) tandz 2010-05-20 2010-05-20 13:30:23 by lfhuang
[MS] 【求助】Hubbard U is requested for the states which do not have LCAO projectors. (3/913) yankai131 2010-05-20 2010-05-20 11:07:32 by valenhou001
[MS] 【求助】虚频处理后的能量问题 (0/209) shengfengyu 2010-05-20 2010-05-20 10:46:09 by shengfengyu
[MS] 【求助】在文献上看到C掺ZnO有磁距,为什么我用CASTEP算后spin=0?? (6/1058) yankai131 2010-05-19 2010-05-20 09:59:29 by yankai131
[MS] 【求助】新手求助 如何使用MS计算Cu的表面能 (评阅+1) (1/390) jgq880125 2010-05-19 2010-05-20 08:21:47 by jluzzw
[MS] 【求助】纳米管的空间群和参数设置    ( 1 2 ) (17/2081) ym23 2010-04-28 2010-05-19 14:02:46 by beefly
[MS] 【求助】怎样构建高分子界面 (0/254) 香奈儿3182 2010-05-19 2010-05-19 13:53:34 by 香奈儿3182
[MS] 【求助】请问虫友,材料热导率和电子结构有无定量关系式? (1/214) scream 2010-05-19 2010-05-19 13:35:44 by gavinliu7390
[MS] 【求助】相变的判断问题    ( 1 2 ) (评阅+1) (12/1517) yangkunspace 2010-05-13 2010-05-19 10:08:46 by nright
[MS] 【求助】谁能帮我解决这个问题 (0/178) btvipvip 2010-05-18 2010-05-18 22:02:36 by btvipvip
[MS] 【分享】MS5.0.1-Windows版补丁,无金币限制。 (评阅+3) (1/450) dlyao 2010-05-18 2010-05-18 21:56:35 by jwucn
[MS] 【求助】请教怎么计算极化强度? (3/2322) hbdxmajk 2010-04-21 2010-05-18 19:23:44 by dhc198611
[MS] 【求助】dmol3中max.displacement不收敛 (1/2275) sqheyu 2010-05-18 2010-05-18 16:04:43 by sqheyu
[MS] 【求助】outmol文件可以得到些什么信息 (1/1004) shengfengyu 2010-05-13 2010-05-18 16:01:36 by shengfengyu
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