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[热点] 面上项目申报 Tide man 2026-02-08 刚刚
[MS] 小分子转化为周期模型 (13/1382) zlin610 2013-07-22 2013-07-28 20:54:12 by wangjl712
[MS] [已完结]Dmol3过渡态怎么才能消除不必要的虚频 (0/906) Lzp425496024 2013-07-28 2013-07-28 16:54:21 by Lzp425496024
[MS] 【求助】超胞能带的计算有意义吗 (4/1906) 回雁衡阳 2010-05-14 2013-07-27 10:41:41 by lq6865387
[MS] [已完结]MS计算后不能分析,不知道是计算问题还是什么    ( 1 2 ) (13/1946) wangjl712 2013-07-25 2013-07-27 09:36:44 by lq6865387
[MS] [已完结]能带的计算 (加自旋和不加自旋) (5/2637) 李佳佳佳 2013-07-22 2013-07-26 09:25:10 by zlin610
[MS] [已完结]加功能图后表面磁矩的分布 (2/389) 李佳佳佳 2013-07-24 2013-07-25 14:49:02 by 李佳佳佳
[MS] [已完结]在linux下安装MS遇到Java运行环境的问题,求助各位大神。 (3/605) yjcmwgk 2013-07-22 2013-07-25 08:42:52 by yjcmwgk
[MS] [已完结]triclinic晶系的弹性系数Born判据 (3/999) 空心立方体 2013-07-23 2013-07-24 08:33:41 by lq6865387
[MS] [已完结]用网络版本的MS做了一些实验,想发表文章,能否恳请一个作者姓名和单位    ( 1 2 ) (15/1194) zodlee 2013-07-15 2013-07-24 08:31:06 by lq6865387
[MS] [已完结]CASTEP做的掺杂TiO2的光学性质分析    ( 1 2 ) (10/1724) utopia0605 2013-05-15 2013-07-23 17:34:40 by 707462558
[MS] [已完结]MS在LINUX上的安装 (5/940) yangyangwlhx 2013-07-21 2013-07-23 10:16:26 by lq6865387
[MS] [已完结]求助,哪位大神能告诉我用CASTEP怎么样能把SI(5512)表面重构 (4/533) 宋小六666 2013-07-16 2013-07-22 19:44:00 by USTC_STM
[MS] [已完结]建好的胞中不同原子大小是一样的,为什么 (5/736) yqq2008apple 2013-07-18 2013-07-22 14:52:50 by zlin610
[MS] [已完结]MS模型的建立 (4/855) 356284249 2013-07-13 2013-07-21 18:04:47 by 356284249
[MS] [已完结]安装MS6.1 出现问题 (3/760) fyz_ok 2013-07-20 2013-07-20 22:27:38 by fyz_ok
[MS] [已完结]MS6.0并行使用必须使用Intelmpi?!我装的是MPICH2 难道不行?!    ( 1 2 3 ) (29/2206) tonglijia 2013-05-06 2013-07-20 07:24:24 by tonglijia
[MS] [已完结]Mg3Bi2 (4/964) ly277823541 2013-07-16 2013-07-19 11:13:34 by ly277823541
[MS] [已完结]有谁用DPD做过RDF图像的? (0/305) pielang 2013-07-19 2013-07-19 08:58:23 by pielang
[MS] [已完结]原子坐标 (2/410) youziyouzi 2013-07-18 2013-07-19 08:57:47 by lq6865387
[MS] 【求助】断点续算与多任务提交 (5/1277) xiaozhigang 2010-11-01 2013-07-19 05:59:09 by lq6865387
[MS] [已完结]Amorphous cell 中的密度问题    ( 1 2 ) (11/2924) yida 2013-03-07 2013-07-18 14:26:59 by yida
[MS] [已完结]离化能的计算 (0/435) youziyouzi 2013-07-18 2013-07-18 14:05:22 by youziyouzi
[MS] [已完结]Forcite分子动力学模拟分析 (2/1191) gynan2008 2013-07-17 2013-07-18 08:39:54 by gynan2008
[MS] [已完结]dmol3计算自旋单态氧气时,参数如何设置?是不选Spin unrestricted吗? (0/882) 乡村非主流 2013-07-17 2013-07-17 22:05:01 by 乡村非主流
[MS] [已完结]有没有用MS做过化学吸附的同学? (2/1001) 伊点若天 2013-07-17 2013-07-17 20:15:17 by xiaohe667788
[MS] [已完结]聚乙烯建模 (1/665) xdr 2013-07-16 2013-07-17 14:31:00 by 达达还是达达
[MS] [已完结]siesta 导入到MS (2/423) wcg757176 2013-07-16 2013-07-17 10:19:55 by love5264
[MS] [已完结]关于如何用MS切Ru(0001)面的疑惑~ (9/2292) 乡村之亭 2013-07-16 2013-07-17 09:18:19 by 伊点若天
[MS] [已完结]求Mg(OH)2的晶格参数 (1/284) 2011200073 2013-07-15 2013-07-16 09:30:16 by DFPT
[MS] [已完结]如何对整片石墨烯的键长做拉伸或者压缩 (6/1539) iodine890404 2013-07-14 2013-07-15 11:06:52 by iodine890404
[MS] [已完结]声子离散曲线 声子态密度 温度与弹性常数关系 (3/2137) nwpu2010 2012-12-24 2013-07-14 20:11:31 by kervinzhao
[MS] [已完结]急求怎样计算轨道成键电子数与单电子数 (1/3404) kcy87123777 2013-06-26 2013-07-14 10:29:06 by lq6865387
[MS] [已完结]高压下弹性常数计算 (5/716) hwceng0816 2013-07-13 2013-07-13 22:01:02 by kervinzhao
[MS] [已完结]C4H (0/334) 只开一次的竹 2013-07-13 2013-07-13 21:23:26 by 只开一次的竹
[MS] 关于MS隐性文件的讨论 (24/2352) dq20081935 2012-05-21 2013-07-13 14:49:32 by sungjen
[MS] [已完结]如何设定带分数电荷的H,钝化表面的悬挂键,修改formal charge还是charge? (1/1654) jieren2013 2013-07-12 2013-07-13 10:00:17 by jieren2013
[MS] [已完结]帮忙计算一下K0 所需参数都有 (2/512) wangfly2009 2013-07-12 2013-07-13 08:29:18 by hwceng0816
[MS] [已完结]MS中聚合物单元的compression/expansion过程 (3/363) 敏sunflower 2013-05-12 2013-07-13 07:28:11 by shujim
[MS] [已完结]复合材料的建模 (0/1328) C40814052 2013-07-12 2013-07-12 15:05:44 by C40814052
[MS] [已完结]forcite 动力学 能量图 (1/609) ning_8023cui 2013-07-11 2013-07-12 12:42:31 by ning_8023cui
[MS] [已完结]请问各位有没有关于计算NiCuZn铁氧体的文献?或者有关于其计算参数设置的 (3/655) mls6422 2013-07-11 2013-07-12 09:50:20 by mls6422
[MS] [已完结]V-R-H 近似方法计算弹性模量 (2/1691) luoyixiu1 2013-07-11 2013-07-12 09:15:02 by luoyixiu1
[MS] [已完结]求助一个电脑问题 (5/905) 飘在空中的雨 2011-12-20 2013-07-12 06:07:17 by jiangyun2
[MS] 【求助】MS中的版块castep计算电子分布密度图 (6/1895) guolianshun 2011-01-07 2013-07-11 18:14:26 by gfy5202008
[MS] [已完结]倾尽金币求弹性系数的计算 (5/540) wangfly2009 2013-07-11 2013-07-11 17:39:20 by xiaohe667788
[MS] [已完结]急求:怎样将原子的能级标记出来 (2/1084) kcy87123777 2013-07-10 2013-07-10 21:59:46 by sunboyccc
[MS] [已完结]请教各位,做掺杂计算时是要保持原来结构的对称性还是改为P1对称性?    ( 1 2 ) (11/2504) 57636672 2013-07-05 2013-07-10 16:01:49 by xyzzz986
[MS] [已完结]MS中的HP-MPI配置问题 (0/408) wl1258 2013-07-10 2013-07-10 15:49:52 by wl1258
[MS] [已完结]求氧化铝晶体sapphire在MS中单胞的画法 (0/296) hitlby 2013-07-10 2013-07-10 15:34:44 by hitlby
[MS] [已完结]如何利用计算结果在ms建模 (6/1701) 骑英奔腾 2012-12-18 2013-07-10 15:25:38 by 天道and酬勤
[MS] 计算声子出错 5 (0/576) chengcai@ 2013-07-10 2013-07-10 10:33:14 by chengcai@
[MS] [已完结]MS 做多层表面的问题    ( 1 2 ) (12/2116) 李佳佳佳 2011-06-23 2013-07-10 07:55:50 by jieren2013
[MS] [已完结]请问这两个模型是怎么建立出来的,跪求!!! (2/373) good---apple 2013-07-08 2013-07-09 19:56:12 by 小韧1
[MS] 求助点有关声子计算与分析的文章 5 (0/243) chengcai@ 2013-07-09 2013-07-09 15:34:39 by chengcai@
[MS] [已完结]求资料 MS 晶体建模基本方法 (7/1494) yangyangwlhx 2013-07-08 2013-07-09 14:58:15 by yangyangwlhx
[MS] [已完结]新手的烦恼【怎么在oringin里算禁带宽度?】    ( 1 2 ) (11/2935) liuy1235 2011-06-25 2013-07-09 06:15:03 by wb1988
[MS] [已完结]关于质子化程度的问题 (0/1484) 学员ABiCqH 2013-07-08 2013-07-08 16:49:59 by zhaoziyan214
[MS] [已完结]请教,关于Dmol3,如何在优化好的结构中计算能量和频率 (4/2346) leslie306 2013-07-05 2013-07-08 14:49:24 by leslie306
[MS] [已完结]如何建立石墨炔(graphyne)和石墨二炔(graphdiyne)模型呢? (2/4073) gxg2008 2013-07-07 2013-07-08 13:16:19 by Joannaouc
[MS] [已完结]请问Dmol3 中max iterations是管什么用的?谢谢大家了!    ( 1 2 ) (13/2339) liaoren5 2013-03-25 2013-07-08 06:01:16 by liaoren5
[MS] [已完结]在集群上如何算CASTEP 能带、态密度 (9/2516) 656746478 2013-06-25 2013-07-07 20:17:32 by 656746478
[MS] [已完结]MS中晶体的空位建立方法!    ( 1 2 ) (11/3055) anlen0615 2012-05-27 2013-07-07 10:33:21 by djz0924
[MS] [已完结]MS面对停电的问题    ( 1 2 ) (11/1805) 伊点若天 2013-07-04 2013-07-07 09:14:40 by lq6865387
[MS] 【求助】金属掺杂态密度分析    ( 1 2 ) (12/3143) qx08131989 2010-09-09 2013-07-07 07:36:16 by 大海12345
[MS] [已完结]求助:MS怎样给边界加热源 (0/207) lanyu2004 2013-07-05 2013-07-05 20:17:55 by lanyu2004
[MS] 关于MS5.5的拉曼测试大家一起来讨论下啊    ( 1 2 ) (16/1748) leon11012 2012-03-04 2013-07-05 10:45:54 by lishourui111
[MS] [已完结]求助关于模型建立的问题 (2/493) 胖哥jlm 2013-07-05 2013-07-05 10:32:20 by xiaohe667788
[MS] [已完结]castep计算密排六方结构弹性常数出现的问题 (1/859) aaa我来嘞 2013-07-05 2013-07-05 10:30:09 by xiaohe667788
[MS] [已完结]急求:请大侠和侠女帮我看看这个PDOS图    ( 1 2 ) (10/1233) kcy87123777 2013-06-28 2013-07-04 19:45:53 by nlmlms
[MS] [已完结]CASTEP 能带结构图不连续,如何修改? (6/2333) dantor321 2013-07-01 2013-07-04 16:23:59 by 冯晓雪
[MS] [已完结]极性表面的表面能怎么计算呢 (9/3351) chaizhm 2011-09-06 2013-07-04 14:51:52 by xiangnanyuzhu
[MS] [已完结]请问一下Dmol计算频率理由Difference-Dipole Methods算强度的问题 (1/208) NUPT 2013-07-02 2013-07-04 10:06:01 by NUPT
[MS] [已完结][关贴]求助几篇比较经典的金属表面吸附的文章,每篇文章10金币奉上!谢谢大家 (1/431) differe 2013-06-29 2013-07-04 09:47:58 by differe
[MS] [已完结]castep计算出错 (9/1272) youziyouzi 2013-07-02 2013-07-04 09:02:39 by youziyouzi
[MS] [已完结]material-studio通过布居计算键的电负性 (4/1757) xxjiang 2013-07-02 2013-07-03 20:30:22 by nlmlms
[MS] [已完结]求助ICSD数据库中CaS的晶体结构参数 (1/620) 胖哥jlm 2013-07-03 2013-07-03 11:18:20 by ljyang320
[MS] [已完结][请教]关于用MS建立晶体模型的若干问题 (5/2313) leslie306 2013-07-02 2013-07-03 11:14:18 by 伊点若天
[MS] [已完结]层状材料和团簇的建模问题 (0/358) wsm1973a 2013-07-03 2013-07-03 10:48:32 by wsm1973a
[MS] 【求助】discover    ( 1 2 ) (16/780) 574384607 2010-04-05 2013-07-03 06:27:38 by qasd
[MS] [已完结]无法计算光学性能 (5/817) dantor321 2013-06-29 2013-07-02 18:10:00 by dantor321
[MS] [已完结]能否将自己建立的模型当成元胞形式导入MS (3/544) iodine890404 2013-06-27 2013-07-02 10:16:47 by 375642546
[MS] [关贴]请问在用castep进行锆的几何优化时需要考虑spin polarized吗? (3/612) excellencer 2013-06-30 2013-07-02 07:08:24 by shlw0531
[MS] [已完结]怎样用ms构造armchair扶手型石墨烯 (2/1130) 葶葶孙 2013-07-01 2013-07-01 16:47:03 by 天道and酬勤
[MS] [已完结]MS建模时的rebuild crystal有什么作用??? (4/1705) 磊俊陈 2013-06-28 2013-07-01 15:58:03 by 磊俊陈
[MS] [已完结]关于LDA+U的问题 (0/394) 767550995 2013-07-01 2013-07-01 13:57:56 by 767550995
[MS] [已完结]晶体模拟与原子轨道计算问题求助 (1/703) zhgy1988 2013-06-29 2013-06-30 14:12:31 by KalaShayminS
[MS] [已完结]JAC审稿意见的几点求助 (5/754) 416726641 2013-06-29 2013-06-30 13:02:47 by c0308010104
[MS] 【求助】求教达人:如何算任意两原子是否成键及键强    ( 1 2 ) (10/1760) wang-lf09 2010-07-08 2013-06-30 02:26:23 by valenhou001
[MS] [已完结]Materials studio 在用AMD的处理器跑会不会有什么问题呢? (1/1706) szzpanda 2013-06-29 2013-06-29 14:33:43 by souledge
[MS] 关于CASTEP计算的Total Energy和Born-Mayer势 (3/1353) kervinzhao 2013-06-27 2013-06-28 12:41:16 by kervinzhao
[MS] [已完结]求问MS的Castep模块中怎么能弄出电子云图片啊,请附上详细步骤,初学者,不太会。 (0/972) i3super 2013-06-28 2013-06-28 08:13:25 by i3super
[MS] [已完结]谁能教教我怎么用MS建立YFeO3模型    ( 1 2 ) (10/910) i3super 2013-05-26 2013-06-28 08:08:54 by i3super
[MS] [已完结]轨道分裂 在帯隙中形成 pseudointermediate band (PIB) (0/226) 月下124 2013-06-27 2013-06-27 19:35:35 by 月下124
[MS] 【求助】求助CASTEP的运行 (8/1508) lishufei 2010-07-12 2013-06-27 17:53:19 by 小韧1
[MS] [已完结]MS安装后无法提多核任务,求解 (6/820) niuxiaoqi721 2013-06-24 2013-06-27 11:59:49 by niuxiaoqi721
[MS] [已完结]CASTEP计算态密度图的能级问题    ( 1 2 ) (11/2108) 月只蓝 2012-09-13 2013-06-27 08:33:38 by xiaohe667788
[MS] [已完结]碳纤维第一性原理计算 (0/911) zmhaha 2013-06-26 2013-06-26 20:17:04 by zmhaha
[MS] [已完结]能带图 (5/821) yizhiwoniu 2013-06-23 2013-06-26 11:13:38 by yizhiwoniu
[MS] [已完结]Dmol3 overlap population analysis (2/1016) hugoxia 2013-06-25 2013-06-25 19:32:39 by hugoxia
[MS] [已完结]老菜鸟求问2*2原胞构建方法 (0/327) porominix 2013-06-25 2013-06-25 18:06:44 by porominix
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