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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
    【求助】表面能计算公式 (1/695) jingshanfeiyan 2008-05-28 2008-05-28 16:05:31 by csfn
    [MS] [讨论]MS中discover模块适合优化的原子数是多少？ (2/505) super7 2008-05-11 2008-05-28 16:01:47 by Eileen7600
    [MS] Dmol3中关于LUMO,HOMO轨道图的问题 (评阅-2) (2/765) yding99 2008-05-27 2008-05-28 11:15:26 by linglixia
    【求助】在计算过程中无法显示进度怎么办？ (7/742) aylayl08 2008-04-14 2008-05-28 10:30:25 by stonezhoujun
    [MS] 【求助】castep计算中如何查看有效质量阿？ (5/899) minbad 2008-05-27 2008-05-28 09:50:29 by dali2006
    【求助】菜鸟问个castep的问题！ (4/728) kanminbad 2008-05-13 2008-05-28 09:42:23 by dali2006
    [MS] [求助]如何在MS中引入一个分子单元占据一个格点位置？ 10 (0/170) yy1980 2008-05-28 2008-05-28 08:31:06 by yy1980
    【求助】vasp 自由度 温度 (3/726) qwe1997 2008-01-09 2008-05-27 23:07:47 by flying_fish
    [MS] 求助 大气腐蚀的计算机模拟 (2/397) liangjianneng 2008-05-25 2008-05-27 18:00:49 by liangjianneng
    [Vasp&Me ] 【求助】VASP的POSCAR (1/479) yinwei_li 2008-05-26 2008-05-26 22:01:22 by jghe
    【求助】MS结果图里的DOS图    ( 1 2 3 ) (20/2469) leijunfeng 2008-04-15 2008-05-26 18:15:16 by scdxchenfang
    [MS] 【求助】O的3d结构怎么构建 (2/318) yulifto8402 2008-05-26 2008-05-26 14:58:06 by aylayl08
    【求助】费米能级以上态密度问题    ( 1 2 ) (12/3902) aylayl08 2008-05-24 2008-05-26 14:54:55 by aylayl08
    [MS] 【求助】DMol 进行TS search 的问题 (0/306) goodman959 2008-05-26 2008-05-26 14:53:55 by goodman959
    [MS] 【求助】计算径向分布函数的几个问题 (0/356) abc6394490 2008-05-26 2008-05-26 14:36:46 by abc6394490
    [Vasp&Me ] [讨论] VASP的运算出错fatal internal in brackting (0/563) chemofish 2008-05-26 2008-05-26 14:20:59 by chemofish
    [MS] [讨论]supercell建立后的问题    ( 1 2 ) (10/1269) sunmuer 2008-04-24 2008-05-26 11:15:29 by stonezhoujun
    【求助】origin 如何求极限 (2/914) yuerainsea 2008-05-21 2008-05-26 09:40:39 by yuerainsea
    [MS] ［求助］如何在ms里画根号3*根号3的构型 (1/768) lightgjx 2008-05-25 2008-05-26 08:06:06 by gkd_0000
    【求助】如何用VASP计算四方晶系的弹性常数 (4/757) xiaohong508 2008-05-24 2008-05-25 19:19:36 by hdh912
    [Vasp&Me ] 【求助】四方晶体的弹性常数 (0/566) xiaohong508 2008-05-24 2008-05-24 21:05:41 by xiaohong508
    【求助】求MS中 Amorphous cell 模块的相关文献 (2/465) yyx19840628 2008-04-24 2008-05-24 20:11:05 by lisa837
    【求助】MS的discovery如何设置力场 (2/560) zuozhijun5134 2008-04-23 2008-05-24 19:56:39 by lisa837
    【求助】怎样在CASTEP里设置计算各离子的静电荷数 (4/652) aylayl08 2008-05-22 2008-05-24 14:27:13 by aylayl08
    [求助]vasp的PDOS的计算，做出的PDOS均为0，只有总态密度！    ( 1 2 ) (15/1585) liuying287 2008-04-14 2008-05-24 12:27:10 by liuying287
    [Vasp&Me ] 可以用VASP计算Constrained LDA吗? (0/344) sure1027 2008-05-24 2008-05-24 10:44:27 by sure1027
    【求助】vasp 优化问题！ (1/189) yinwei_li 2008-05-24 2008-05-24 09:24:56 by zhjh888888
    [Vasp&Me ] strain-stress (0/123) yinwei_li 2008-05-24 2008-05-24 02:36:25 by yinwei_li
    [MS] 高分子模拟实例 (8/435) athens20 2008-05-07 2008-05-24 00:33:19 by 穷学生
    【求助】为什么我的ms不能进行计算？ (2/498) crystal_wang_82 2008-05-22 2008-05-23 23:51:13 by crystal_wang_82
    [MS] 到哪里可以下载到免费的materials-studio软件 (评阅-2) (1/422) xinbingjing 2008-05-23 2008-05-23 19:04:11 by hopingzmn
    [Vasp&Me ] [求助]如何处理ABINIT测试出现的问题？ (0/86) huangye2001 2008-05-23 2008-05-23 16:26:02 by huangye2001
    [MS] 【求助】在UNIX下运行DMOL任务的问题 (2/378) goodman959 2008-05-22 2008-05-23 15:37:17 by cationly
    [MS] [求助]MS中如何建立络合物的模型 (0/293) ruifeng 2008-05-23 2008-05-23 01:07:11 by ruifeng
    【求助】如何用VASP计算优化晶格常数[解决了，谢谢关注］ 5 (9/1099) sunyongcan 2008-05-12 2008-05-22 18:12:07 by chemofish
    [MS] [求助】ms提交到服务器算的程序，结果返回不回来是怎么回事 (评阅+1) (0/242) xiangshuai_hyf 2008-05-22 2008-05-22 15:58:07 by xiangshuai_hyf
    [MS] 【求助】：用MS软件计算 (0/316) qhdzqy 2008-05-22 2008-05-22 15:11:44 by qhdzqy
    【求助】关于DMol的计算问题和TS问题 (8/912) plumloop 2008-05-12 2008-05-22 12:34:44 by plumloop
    [MS] 【求助】:用Amorphous cell时遇到的问题 (0/362) lixiaowei 2008-05-22 2008-05-22 11:03:06 by lixiaowei
    [MS] 【求助】doml3不能正常结束 3 (6/810) 唯美 2008-05-20 2008-05-22 10:54:36 by 唯美
    [MS] 【讨论】是MS 4.2有bug还是我的设置有问题？ (0/275) qasd 2008-05-22 2008-05-22 10:45:36 by qasd
    【求助】通过设置smearing的值来模拟有限温度下的能带结构和态密度？ (2/1320) gkd_0000 2008-05-20 2008-05-22 08:30:35 by gkd_0000
    [MS] [求助]:怎样在 MS中建立纳米Si晶粒 (4/555) wuzhuanhua 2008-05-21 2008-05-21 19:25:25 by aylayl08
    [MS] 【求助】分析态密度 (4/775) dali2006 2008-05-21 2008-05-21 15:47:49 by dali2006
    [MS] 【求助】计算完后的分数坐标问题 (3/493) e-up 2008-05-21 2008-05-21 15:16:38 by aylayl08
    [MS] [求助]如何在ms中建立自己想要的团簇构型 (3/778) leongxf 2008-05-15 2008-05-20 22:12:45 by ruifeng
    [MS] [求助]ms如何提交远程任务 (4/845) ruifeng 2008-05-20 2008-05-20 22:08:22 by ruifeng
    [MS] [求助]MS中castep和dmol3的选用问题 (2/1090) ruifeng 2008-05-15 2008-05-20 20:49:15 by gkd_0000
    [MS] 【求助】Castep对体系的优化 (9/1049) mengsk 2008-05-13 2008-05-20 20:10:11 by gkd_0000
    [MS] 【求助】掺杂晶体对称性问题 (2/802) aylayl08 2008-05-19 2008-05-20 19:32:52 by aylayl08
    [MS] 【求助】做掺杂晶体的CASTEP计算    ( 1 2 ) (11/1573) aylayl08 2008-05-16 2008-05-20 19:05:57 by aylayl08
    [MS] [求助]：吸附性质计算 (2/501) jingshanfeiyan 2008-05-20 2008-05-20 17:00:23 by oulihui666
    [MS] [求助]: MS关于构建气液界面 (1/352) 222222 2008-05-20 2008-05-20 13:33:18 by 222222
    [MS] 【求助】力场模拟中关于电荷分配的问题 (0/374) 啃骨魔 2008-05-20 2008-05-20 11:05:07 by 啃骨魔
    [MS] 【求助】:castep计算结果中如何精确得到禁带的数据? (2/442) 曲缘 2008-05-19 2008-05-20 10:00:01 by 曲缘
    [MS] 求Materials-Studio 的入门资料 (评阅-2) (0/354) jinlong288 2008-05-20 2008-05-20 09:27:22 by jinlong288
    【求助】怎样导出坐标 (5/326) sunyongcan 2008-05-15 2008-05-20 08:51:22 by ztwang
    [MS] [求助] 请教abinit 5.4-4的安装方法 (5/661) huangye2001 2008-04-16 2008-05-19 20:53:31 by huangye2001
    [MS] 【求助】关于MS及量子化学参数 (3/609) 阳光不锈钢 2008-05-19 2008-05-19 11:17:16 by 阳光不锈钢
    [MS] [求助]吸附能对比结论和实际不一致 (3/565) jingshanfeiyan 2008-05-15 2008-05-19 10:59:46 by xmr0125
    [MS] [讨论]的那个模块？ (3/402) ems 2008-05-16 2008-05-19 09:03:36 by rainbot
    【求助】新组的机群，装上之后出错 (3/333) cuihang 2008-05-07 2008-05-19 00:56:48 by persei312
    [MS] 求助：用Dmol3计算时出现allocation failure是怎么回事？ (1/434) 赵晓玲 2008-05-18 2008-05-18 12:35:05 by ustc
    [MS] [求助]origin画出来的等高线图Z轴是什么 (2/939) yuerainsea 2008-05-16 2008-05-18 11:04:49 by yuerainsea
    [MS] [求助]谁能详细教我一下如何用oringin画等高线图 (4/814) yuerainsea 2008-04-28 2008-05-18 11:02:14 by yuerainsea
    [求教] 有人能解释一下KPOINTS的意义吗? (6/2105) ustbmars 2008-05-13 2008-05-18 10:41:26 by persei312
    [Vasp&Me ] 【求助】计算的带隙比实验值大是什么原因？ (1/195) jghe 2008-05-16 2008-05-18 10:36:33 by persei312
    [Vasp&Me ] 【求助】关于GaN（0001）极性表面的H封闭问题 4 (0/125) hucl9902 2008-05-18 2008-05-18 09:35:51 by hucl9902
    [MS] 求助 ：在能带计算中这样的error指哪儿出了什么问题？ (0/237) 赵晓玲 2008-05-18 2008-05-18 09:00:23 by 赵晓玲
    【求助】请问一个操作系统可以同时安装两个版本的MS么？ (5/610) snowgary 2008-05-16 2008-05-17 20:22:37 by snowgary
    【求助】这样的测试结果说明MS可以用了吗？ (7/831) hjlyyc 2008-05-15 2008-05-17 20:20:48 by hjlyyc
    [MS] 关于Materials-studio的讨论 (评阅+1) (1/402) wjhu 2008-05-17 2008-05-17 20:15:06 by dongping001
    【求助】关于MS的DISCOVER模块 (9/1132) savagefly 2008-05-15 2008-05-17 12:43:04 by qasd
    【求助】怎样在ms中输入坐标文件 (1/579) leongxf 2008-05-15 2008-05-17 12:39:53 by qasd
    [MS] 【求助】特需Materials studio！    ( 1 2 ) (12/1110) zouxiaomi 2008-05-15 2008-05-17 11:17:37 by zouxiaomi
    [MS] [关贴]人生成功十二课 (金币≥2)(0/64) 066040223 2008-05-16 2008-05-16 22:49:33 by 066040223
    【求助】MS计算TiO2的能带图 6 (6/1027) miaojuhong 2008-05-14 2008-05-16 19:32:33 by hopingzmn
    【求助】MS里面可以做变温介电常熟的计算吗？ (3/494) lottus 2008-05-16 2008-05-16 18:57:18 by hopingzmn
    [MS] 请教问题 (评阅-2) (2/291) li_xinjiang 2008-05-15 2008-05-16 18:21:02 by li_xinjiang
    [MS] 【求助】计算过渡态时的出错问题 (2/520) plumloop 2008-05-13 2008-05-16 14:30:48 by plumloop
    [MS] 【求助】计算什么参数可以表征材料的刚性程度？ (4/674) zzg1982 2008-05-12 2008-05-16 13:58:25 by yuerainsea
    [MS] 【求助】ms sorption求溶解度系数 (4/578) yuerainsea 2008-03-24 2008-05-16 11:27:48 by yuerainsea
    [MS] [分享]有关MS4.2的安装 (评阅+3) (6/412) snowgary 2008-05-15 2008-05-16 10:51:31 by rainbot
    [MS] [讨论]为什么我的ms4.2，找不到compass模块?我的是本论坛下的4.2版。 (2/476) ems 2008-05-15 2008-05-16 09:16:59 by ems
    [MS] [求助]如何分析DMol3中的TS search和TS Optimization的结果？ (0/834) liuzhencc 2008-05-15 2008-05-15 22:02:22 by liuzhencc
    【求助】LDA+U 计算时 如何确定U？ (6/928) wangzj 2008-03-25 2008-05-15 21:29:47 by y1ding
    [MS] 请问谁能把这个网站上的这个关于ms计算声子谱的课件下下来，请发上来，谢谢了 (评阅-2) (4/473) li_xinjiang 2008-05-15 2008-05-15 18:09:25 by li_xinjiang
    【求助】discover MD计算出错 (3/509) jingshanfeiyan 2008-05-14 2008-05-15 16:53:28 by jingshanfeiyan
    [MS] [求助】关于吸附 (0/244) jinhongyan2009 2008-05-15 2008-05-15 15:04:41 by jinhongyan2009
    [MS] 【求助】请求个MS中的计算问题！ 5 (7/842) dyp2009 2008-05-13 2008-05-15 14:48:52 by dyp2009
    [MS] [求助]Z-DNA的建模问题 10 (1/255) dawnlight 2008-05-14 2008-05-15 10:19:31 by realac
    【求助】Materials Studio 4.2比4.1有哪些改进？ (2/414) snowgary 2008-05-13 2008-05-15 10:01:12 by snowgary
    【求助】如何构建单层石墨层(graphene)的结构呀？ (6/1021) 378287892 2008-05-10 2008-05-15 09:02:15 by sunyunmeng
    【求助】一些金属,气体的化学势 (4/1105) liluyan 2008-05-12 2008-05-15 08:58:35 by liluyan
    [MS] [求助]关于结合能的问题！ (0/270) deadbook 2008-05-15 2008-05-15 08:27:53 by deadbook
    [MS] [求助] 如何利用MS计算热流时间自相关函数值 (1/502) weijie08 2008-05-14 2008-05-15 06:06:20 by weijie08
    【求助】请问CASTEP和DMol计算的对象有哪些不同？ (1/337) 378287892 2008-05-09 2008-05-14 20:42:38 by goodman959
    【求助】请问怎样在MS中计算氢键长度？ (3/918) hanbao 2008-05-12 2008-05-14 20:19:53 by goodman959
    [MS] 【求助】怎么建石墨片层模型啊 (6/749) ypf1449 2008-04-26 2008-05-14 16:42:18 by dawnlight
    【求助】Dmol算过渡态 (3/486) smazz 2008-05-12 2008-05-14 16:41:43 by goodman959
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