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[热点] 天津大学招2026.09的博士生,欢迎大家推荐交流(博导是本人) a793625982 2026-02-08 刚刚
[MS] [已完结]MS建好的模型导出以后怎么发生了变化? (8/2030) xiongxiong5712 2011-12-28 2013-05-29 13:39:22 by 叶仙儿
[MS] [已完结]MS 运行出错求助 (1/310) 小小冰竹 2013-05-27 2013-05-29 10:15:27 by xukun889490
[MS] 【求助成功】如何在 结构图 上添加 原子标注 (7/1197) gene98120785 2011-04-11 2013-05-29 08:18:34 by heechao
[MS] [已完结]ms软件怎么画图!求助!    ( 1 2 ) (13/2912) CXC_小草 2011-10-10 2013-05-28 19:12:39 by 刘瑞蕊
[MS] 【求助】CASTEP的出错信息“Cannot open message catalog "2052\libiomp5ui.dll& (6/3012) awmc2008 2011-03-08 2013-05-28 18:50:11 by nfer
[MS] [已完结]求助交流--关于结构稳定性的建模及计算 (0/274) 09B907012 2013-05-28 2013-05-28 11:13:19 by 09B907012
[MS] [已完结]MS中有机分子向金属晶体表面复制报错问题 (0/419) cxg0501 2013-05-28 2013-05-28 10:25:56 by cxg0501
[MS] [已完结]拜求 MS6.0 64位安装包 (0/236) cat558g 2013-05-28 2013-05-28 09:51:21 by cat558g
[MS] [已完结]Dmol3晶体吸附 (6/2053) WJ-MS 2012-03-26 2013-05-28 05:34:29 by WJ-MS
[MS] 【求助】这是什么原因导致的呢?    ( 1 2 ) (10/2568) niexiaowu 2009-06-05 2013-05-27 18:20:43 by yaoxin1
[MS] [已完结]如何将MS导出的数据做出立体的图 (6/1246) 李佳佳佳 2013-05-24 2013-05-27 15:19:47 by 李佳佳佳
[MS] [已完结]materials studio 能装在indows server系统上吗? (0/253) hustzym 2013-05-27 2013-05-27 11:13:27 by hustzym
[MS] [已完结]请问MS里有Mg3N2的晶体结构吗??? (1/627) huangpu2009 2013-05-25 2013-05-27 11:11:24 by essica7
[MS] [已完结]水的扩散系数 (1/2874) coella 2012-03-13 2013-05-27 10:46:46 by hanpeng972
[MS] [已完结]掺杂后晶系的改变 (3/593) haitian123 2013-05-24 2013-05-27 08:33:43 by future_wl
[MS] [已完结]求MS6.0在win8上的安装方法 (1/377) 李梦尧 2013-05-25 2013-05-27 00:57:16 by evildickman
[MS] [已完结]热力学计算 热熔 准谐德拜模型和CASTEP中的声子法有什么区别? (0/847) hwceng0816 2013-05-26 2013-05-26 22:33:06 by hwceng0816
[MS] [已完结]Nanocluster 的构建 (0/1596) 独孤一平 2013-05-26 2013-05-26 12:57:28 by 独孤一平
[MS] [已完结]MS 杂化泛函计算 (1/502) yanrong_88 2013-05-26 2013-05-26 11:34:16 by yanrong_88
[MS] [已完结]求助P3HT建模 (0/388) qingqiu 2013-05-26 2013-05-26 10:52:40 by qingqiu
[MS] CASTEP计算的金属钼的弹性常数随压力变化起伏很大 (4/961) kervinzhao 2013-05-25 2013-05-26 09:09:30 by kervinzhao
[MS] [已完结]金属间化合物价电子数怎么求? (0/636) hwceng0816 2013-05-25 2013-05-25 16:01:13 by hwceng0816
[MS] [已完结]布局分析不能算~~~求助!!!    ( 1 2 ) (11/1075) shshshuang 2011-09-22 2013-05-25 13:52:35 by cuicui2397
[MS] [已完结]castep 通过光学性质计算电导率 (2/1867) 叶仙儿 2013-05-23 2013-05-25 11:07:45 by 叶仙儿
[MS] 【求助】求Zn B O Al N原子的化学势    ( 1 2 ) (10/3199) Lucky2680 2010-05-11 2013-05-25 06:19:51 by pengliusss
[MS] ms5.5 在win8 总是出问题 (13/2531) songbone 2012-03-26 2013-05-24 09:17:27 by 笑问天
[MS] [已完结]请教linux计算好后的CASTEP任务如何在windows下进行分析? (1/954) 04nylxb 2011-07-18 2013-05-24 06:47:19 by xmwqzys
[MS] [已完结]我怎么算不了DOS,哪位大神帮我看一看。 (0/213) leilei024542 2013-05-23 2013-05-23 19:40:03 by leilei024542
[MS] 第一性计算领域有通讯类期刊吗? (3/362) 大堂9999 2013-05-22 2013-05-23 16:09:49 by ningbocat
[MS] [已完结][关贴]Castep band gap 比预料的要小很多    ( 1 2 3 ) (24/3174) likang198802 2013-05-14 2013-05-23 15:03:47 by likang198802
[MS] 【求助】共吸附的能量 (1/399) liujie5631 2010-10-11 2013-05-22 13:04:12 by lyxc43
[MS] [已完结]Heusler合金Cr3Si和Cr3Ge,在做CASTP模拟时,建立晶格需要晶格常数,求助,急用 (0/292) 付铁军 2013-05-22 2013-05-22 11:44:54 by 付铁军
[MS] [已完结]MS动力学出错,求助 (2/819) 飞行鸟 2013-05-21 2013-05-22 09:47:27 by walkhf
[MS] [已完结]求晶体结构的xyz格式转换为cif格式的方法。 (0/2535) 龙山狮崖 2013-05-21 2013-05-21 21:22:45 by 龙山狮崖
[MS] [已完结]ms做出的DOS图如何利用Origin处理? (9/3945) hustzym 2013-05-15 2013-05-21 20:47:27 by cuicui2397
[MS] [已完结]关于置换固溶第一性原理计算的问题 (5/821) yxm0351 2013-05-21 2013-05-21 17:20:54 by yxm0351
[MS] castep建模 (0/388) lewryallen 2013-05-20 2013-05-20 20:58:31 by lewryallen
[MS] [已完结]各位大牛们进来帮帮小弟MS 收敛 (3/573) dfy50 2011-12-07 2013-05-20 18:12:54 by zt_chem
[MS] CASTEP计算 (3/721) npuouwen 2013-03-01 2013-05-20 17:45:43 by 何处为归
[MS] [已完结]如何计算Mn3O4晶体不同晶面的表面能 (5/2101) whuzhouwei 2013-05-04 2013-05-20 17:39:16 by cat558g
[MS] [已完结]结构图导出 (2/351) youziyouzi 2013-05-17 2013-05-20 15:47:13 by liyong.gan
[MS] [已完结]计算中遇到这个怎么办? (8/1526) 吕洁丽霞 2013-05-17 2013-05-20 12:00:41 by 57636672
[MS] CASTEP发文章影响因子越来越低了啊 (9/1864) gaoyb18 2013-05-13 2013-05-20 10:06:49 by 磊俊陈
[MS] [已完结]截断能测试 (2/916) 张宇琴 2013-05-17 2013-05-20 09:57:00 by 磊俊陈
[MS] CASTEP 计算声子得到热容 是Cv还是Cp (2/737) tzl722 2013-05-16 2013-05-18 12:15:55 by victor626
[MS] [已完结]关于ms6.1安装的问题 (0/746) ljyang320 2013-05-18 2013-05-18 11:21:10 by ljyang320
[MS] 【求助】请教Task里面的设置问题!    ( 1 2 ) (12/1458) liang7035 2010-06-02 2013-05-18 08:29:55 by cuicui2397
[MS] [已完结][关贴]关于建模 (0/309) xdr 2013-05-17 2013-05-17 22:47:12 by xdr
[MS] 分子吸附复制分子到基体时基体几个原子消失了 (0/382) 艾因死探 2013-05-17 2013-05-17 21:35:59 by 艾因死探
[MS] [已完结]MS中sX-LDA计算中的一些问题 (2/1001) yanrong_88 2013-05-17 2013-05-17 16:33:26 by yanrong_88
[MS] 【求助】CASTEP计算力学性能    ( 1 2 ) (11/2880) 薛金祥 2010-10-11 2013-05-17 07:42:49 by 义者宜也
[MS] [已完结]掺杂后直接计算能量,能说明什么问题? (6/1925) 傻孩阿布 2013-01-11 2013-05-17 06:02:06 by 1051358187
[MS] [已完结]求助如何解决Error in popn_invert_complex: dgetrf -> singular (0/422) lwting 2013-05-16 2013-05-16 18:48:22 by lwting
[MS] 有关力场的选择 (12/1186) wuchengyou6097 2013-05-15 2013-05-16 18:15:21 by haixiawu
[MS] 请教:有谁用CASTEP优化过CuO的晶胞结构? (12/2371) linglixia 2011-05-20 2013-05-16 17:41:10 by linglixia
[MS] 【求助】能量分析问题 (5/615) nwx_ky 2011-02-27 2013-05-16 14:49:25 by 兜兜有颗糖
[MS] [已完结]掺杂浓度可以通过改变超胞大小来描述吗? (3/991) shaocairu 2013-05-15 2013-05-16 14:29:54 by KalaShayminS
[MS] [已完结]MS 如何建模 (1/679) 橡胶达人 2013-05-14 2013-05-16 14:27:48 by 橡胶达人
[MS] 无法导出结果文件的原因之一 (2/439) fds329 2013-05-16 2013-05-16 14:22:37 by fds329
[MS] [已完结]截断能 K点 原子数量 关系    ( 1 2 ) (10/1690) tc1788 2013-04-12 2013-05-16 14:16:40 by jizw0704
[MS] MS 软件如何 结构优化啊 结束 (10/3057) 泥娃娃110 2011-05-23 2013-05-16 13:59:41 by 梦@君
[MS] [已完结]如何通过声子计算求解热导率 (5/4649) xujc1983 2011-10-17 2013-05-16 12:29:52 by gswylq
[MS] [已完结]求助,使用MS计算不同比例N掺杂ZnO的禁带宽度,结果令人不解 (7/2414) 57636672 2013-04-20 2013-05-16 10:53:53 by 57636672
[MS] [已完结]请问我用ms(windows下)在提交任务的时候总是弹出如下的框, 任务无法提交。 (3/830) zhanghuamin 2013-05-15 2013-05-16 10:30:24 by zhanghuamin
[MS] [已完结]用dmol3计算能量时SCF不收敛 (0/2118) chenruotian 2013-05-16 2013-05-16 09:16:28 by chenruotian
[MS] [已完结]请教Linux下Material Studio 6的安装 (7/1594) weitong 2013-05-14 2013-05-15 17:51:49 by 57636672
[MS] [已完结]请问MS能算功函数吗?work function (5/2808) hwceng0816 2013-04-03 2013-05-15 15:25:48 by hwceng0816
[MS] windows server2003操作系统下,多核电脑每个单核分配的内存是否有4G的上限 (4/1121) ljjhb1 2011-06-20 2013-05-15 10:43:18 by mudouyu11
[MS] [已完结]castep HOMO (0/813) ydjdb 2013-05-14 2013-05-14 21:34:51 by ydjdb
[MS] [已完结]MS中关于旋转的问题 (1/417) tangjie1989 2013-05-13 2013-05-14 18:58:47 by tangjie1989
[MS] [已完结]分子络合物怎么建模 (1/606) liutaifeng 2013-05-14 2013-05-14 17:05:38 by yqfan
[MS] [已完结]第一性原理计算审稿人 (0/485) hwceng0816 2013-05-14 2013-05-14 13:10:02 by hwceng0816
[MS] [已完结]ZnS收敛性测试 MS (6/1605) 桔子11 2013-05-11 2013-05-14 10:52:12 by 桔子11
[MS] 2012 CASTEP 文章汇总    ( 1 2 ) (12/1425) aa644387857 2013-04-17 2013-05-14 09:57:36 by 06022043
[MS] [已完结]态密度 (0/306) zmrright 2013-05-13 2013-05-13 22:07:53 by zmrright
[MS] 【求助】gateway测试成功,为什么交不了作业    ( 1 2 ) (12/1882) 姚姗姗 2010-04-06 2013-05-13 18:25:11 by 杨成莱
[MS] [已完结]怎样用MS作差分电荷密度图? (1/2090) zhlhhc 2013-05-13 2013-05-13 15:43:12 by youziyouzi
[MS] [已完结]用Dmol3过渡态搜索出错 (0/803) jisuanzhe 2013-05-13 2013-05-13 11:50:48 by jisuanzhe
[MS] [已完结]MS计算光学性质中的问题 (0/1530) yanrong_88 2013-05-13 2013-05-13 11:02:01 by yanrong_88
[MS] [已完结]费米能级在进入导带的氧化物能否称为简并半导体? (1/582) zhuimengren 2013-05-09 2013-05-13 10:45:54 by gkf高
[MS] 【求助】castep计算晶胞参数为什么偏大很大呢? (6/1461) tranquilseaside 2010-09-21 2013-05-13 10:41:00 by 义者宜也
[MS] [已完结]请问固定原子坐标是不是在CASTEP中不起作用啊?在Dmol3中起不起作用呢?    ( 1 2 ) (11/2766) Gina88 2011-06-15 2013-05-13 10:38:20 by 义者宜也
[MS] [已完结]能否用dmol3中的Hirshfeld analysis-dople计算纳米带的偶极矩?? (4/967) ddang100 2011-10-17 2013-05-13 07:51:51 by cat558g
[MS] 【求助成功】这样的castep出错信息说明什么? (7/2290) snowmami 2010-07-02 2013-05-13 06:47:44 by snowmami
[MS] [已完结]关于弹性常数等方面的教材 (2/512) color_air 2013-05-12 2013-05-12 20:15:15 by wuli8
[MS] [已完结]Material Studio构建界面模型 (0/1786) 352346571 2013-05-12 2013-05-12 20:12:52 by 352346571
[MS] [已完结]晶体坐标变换问题 (2/707) 龙山狮崖 2013-04-25 2013-05-12 19:17:45 by liqizuiyang
[MS] [已完结]求助大神,建一个钯的晶胞,求需要晶体结构的文献里的原始数据????求相关文献 (2/507) ang-xiao-ang 2013-05-10 2013-05-12 18:03:21 by cash_ms
[MS] [已完结]Materials Studio 输出文件 seedname.orbitals 文件 (0/538) suntao1982 2013-05-12 2013-05-12 12:56:29 by suntao1982
[MS] CASTEP SCF tolerance 和 convergence tolerance 有何区别 (4/3646) fansw1129 2013-05-09 2013-05-12 10:43:09 by likang198802
[MS] [已完结]CASTEP计算交换关联函数选择解析 (1/759) hwceng0816 2013-04-21 2013-05-11 22:32:00 by kuner
[MS] [已完结]5W工作站 大家帮忙看看三个配置单 我感觉有点高    ( 1 2 ) (10/1147) SouW2014 2013-05-08 2013-05-11 20:41:10 by xyzzz986
[MS] [已完结]加u计算 (1/658) hwceng0816 2013-02-24 2013-05-11 19:36:50 by kuner
[MS] [已完结]金属间化合物晶体价电子数如何求 (0/350) hwceng0816 2013-05-10 2013-05-10 16:51:10 by hwceng0816
[MS] 【求助】castep 怎么预测晶格常数 (8/1959) btvipvip 2010-08-21 2013-05-10 11:01:46 by yingwu528
[MS] [已完结]CASTEP 加自旋不收敛 (6/2856) nwpu2010 2011-12-23 2013-05-10 07:20:20 by hustzym
[MS] [已完结]杨氏模量 泊松比 (0/1800) zengxb 2013-05-09 2013-05-09 21:37:51 by zengxb
[MS] 【【【【MS中两处K点设置的交流!!!】】】 (8/3750) pengliusss 2013-05-07 2013-05-09 09:05:03 by pengliusss
[MS] [已完结]MS中自旋多重度的设置 (4/1492) Yolanda7 2012-04-15 2013-05-09 07:52:58 by lianbingjie
[MS] 不同精度的光学性质不同 (5/746) 13312091551 2013-05-06 2013-05-08 23:46:17 by 13312091551
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