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    [热点] 心脉受损 偏振片 2025-12-14 刚刚
    [MS] 【求助】ms不能计算了,错误提示看不懂,请帮忙分析1 (4/383) shiweimei 2009-02-09 2009-03-11 09:31:34 by 胡捣
    [MS] 【求助】晶体建模 2 (2/171) wwj_0905 2009-03-10 2009-03-11 09:06:05 by wwj_0905
    [MS] 【求助】MOF的显示问题    ( 1 2 ) (15/684) zyj8119 2009-02-22 2009-03-11 08:36:32 by zyj8119
    [MS] 【求助】castep优化错误信息,帮帮忙! (2/160) 小木虫503 2009-03-10 2009-03-11 07:25:42 by 小木虫503
    【求助】ubuntu8.04安装pwscf编译问题 (2/138) cheapskate 2009-03-10 2009-03-10 22:06:35 by cheapskate
    [MS] 【求助】MS4.4无法计算 (3/679) 守望者7981 2009-03-09 2009-03-10 21:44:44 by 守望者7981
    [其他] 关于设立值班版主的通知    ( 1 2 ) (评阅+10) (金币≥65535)(10/180) wuli8 2009-03-05 2009-03-10 11:56:55 by zxzj05
    [MS] castep用的norm-conserving pesudopotential 或者ultrasoft pesudopotential 的势能图 2 (评阅-2) (1/206) golden22 2009-03-10 2009-03-10 10:38:13 by zxzj05
    【求助】RHEL4下inter集成显卡驱动的安装 (8/368) chemozhang 2009-03-08 2009-03-10 09:54:40 by tjpm
    [MS] 请问 castep计算的能隙值在那里看呢? (2/180) xalixp 2009-03-09 2009-03-10 09:36:57 by xalixp
    [MS] 【求助】结构优化不收敛 (1/242) 小臭虫 2009-03-09 2009-03-10 08:21:02 by gavinliu7390
    [其他] Post-doc Position Available (0/127) znet0201 2009-03-10 2009-03-10 02:42:01 by znet0201
    [MS] 求助:如何在MS中建立一个共聚物模型? (1/134) Dream-weaver 2009-03-09 2009-03-09 22:58:47 by cel0303
    [MS] 求助:MS中几种控温方法的用法?? (1/154) 点点儿 2009-03-09 2009-03-09 22:52:14 by qasd
    [MS] 【求助】计算机配置 (3/397) 守望者7981 2009-03-09 2009-03-09 22:11:48 by sunsland
    [MS] 【求文献】 (1/50) wwj_0905 2009-03-09 2009-03-09 20:08:04 by wwj_0905
    [MS] 【求助】如何建立聚合物晶体结构 2 (1/101) wwj_0905 2009-03-09 2009-03-09 19:53:21 by wwj_0905
    [MS] 【求助】关于优化聚合物结构 2 (1/106) wwj_0905 2009-03-09 2009-03-09 19:52:55 by wwj_0905
    [Wien2k& ] [求助]登陆服务器命令 (2/103) cheapskate 2009-03-09 2009-03-09 19:48:10 by shiy
    [MS] [求助]如何我们用的ms如何查看版本? (3/121) hadone 2009-03-09 2009-03-09 18:52:37 by qasd
    [MS] 我的论文题目是ZnO.Bi:ZnO的第一性原理计算,不知道要看哪些文献? (评阅-2) (5/529) 050610727 2009-01-15 2009-03-09 18:43:03 by cbFeng200881
    【求助】几个化学势,计算形成能 (评阅+1) (3/637) 程伟686 2008-11-22 2009-03-09 16:08:37 by swordcdm
    [Abinit] 【求助】AB INIT怎么加压? (3/416) tfh00 2009-03-06 2009-03-09 10:41:34 by zxzj05
    [MS] 【求助】MS 中固定原子分数坐标的问题 (6/736) 阿勇 2009-03-03 2009-03-09 10:24:51 by 阿勇
    [QE(Pwsc ] [求助]fqha.x (0/91) lidonglin556 2009-03-09 2009-03-09 09:59:58 by lidonglin556
    [MS] [求助]MS4.3里的高斯能不能进行BSSE计算 5 (0/101) liujie5631 2009-03-09 2009-03-09 09:18:01 by liujie5631
    【求助】消除溶剂分子 (7/291) renwenpo 2009-03-06 2009-03-09 09:08:41 by renwenpo
    【求助】不选自旋没有变化? (6/669) jinhongyan2009 2009-02-24 2009-03-08 21:53:01 by ilyx8050
    [MS] 这个是什么意思?谢谢! (评阅-2) (1/129) xalixp 2009-03-06 2009-03-08 21:49:07 by sss3012
    [MS] [求助]optimize total spin after选项 (1/580) yzcluster 2009-03-08 2009-03-08 21:39:42 by sss3012
    [Wien2k& ] [求助]利用wein2k如何画自旋密度图 (评阅+1) (7/499) fansw1129 2008-12-19 2009-03-08 21:36:59 by yichenliu
    [MS] 【请教】ZnMgO禁带宽度问题    ( 1 2 ) (评阅+1) (18/1693) bytianping 2008-12-01 2009-03-08 20:52:08 by amynliou
    [Abinit] 【求助】(已解决)怎么优化锐钛矿型二氧化钛的晶格常数 (0/166) kongkkk 2009-03-08 2009-03-08 20:10:26 by kongkkk
    [MS] 【求助】在MS中建模时,如何进行切割操作? (评阅+2) (6/1352) sysboy 2008-12-06 2009-03-08 18:44:02 by jiawdd
    【求助】Material Studio 4.3 4.4版本xsd文件兼容问题 (5/867) realac 2009-03-08 2009-03-08 18:21:32 by cationly
    [MS] [求助]MS分子动力学模拟 (5/625) jianchaoyv 2009-03-08 2009-03-08 15:33:23 by qasd
    [MS] [求助] 请问关于掺杂的问题 (6/682) 好好学习772 2009-03-04 2009-03-08 11:02:13 by quangel
    [MS] 求助:自由原子能量 (3/283) kuner 2009-03-07 2009-03-08 10:34:15 by kuner
    [MS] 【请教】:如果在CASTEP中建立一个薄膜的模型 (2/184) ufoer 2009-03-08 2009-03-08 10:31:08 by kuner
    [MS] 请问这个在那里设置? (评阅-2) (6/351) xalixp 2009-03-06 2009-03-08 10:04:56 by quangel
    [MS] 急求助第一原理可否计算复合材料的化学键键能或者键级类的如Ti-B等 (评阅-2) (2/197) ggs 2009-03-02 2009-03-08 01:38:32 by ufoer
    【求助】态密度中负值代表什么含有? (7/1280) idoldog 2009-03-07 2009-03-08 01:00:19 by ufoer
    [MS] MS中可不可以计算钙钛矿结构氧化物能带结构随温度的变化 (评阅-2) (5/860) Ice163 2009-03-02 2009-03-08 00:53:21 by ufoer
    [MS] MD模拟水的温度变化的问题 (3/296) 小~可 2009-03-06 2009-03-07 17:48:40 by qasd
    [MS] 【求助】键能问题 (0/122) sailor805 2009-03-07 2009-03-07 14:41:10 by sailor805
    [QE(Pwsc ] 【求助】热力学性质 (4/572) Tina787 2008-12-15 2009-03-07 14:15:16 by lidonglin556
    [MS] [求助]MS4.3里的高斯不能计算 (4/462) liujie5631 2009-03-06 2009-03-07 11:54:11 by zhengjinde
    【求助】建立层状模型时如何设置层与层之间的距离? (4/448) mmyuan220 2009-03-06 2009-03-07 10:47:02 by awpsr
    [MS] [求助]混合气体IAST理论 4 (0/258) 紊流 2009-03-06 2009-03-06 23:26:36 by 紊流
    [MS] Discover模块支持外加磁场吗? (评阅-2) (3/318) sdlgz 2009-03-04 2009-03-06 22:35:41 by dolphin100
    [MS] [求助]Materail Studio 4.4的运行问题 (3/316) lycoco 2009-03-06 2009-03-06 18:28:37 by lycoco
    [其他] 求助:H2 H2O的分子轨道解释 (2/201) wqg1806 2009-03-05 2009-03-06 18:14:52 by wqg1806
    【求助】vasp输入文件问题    ( 1 2 ) (11/838) 乐乐9138 2009-02-25 2009-03-06 15:01:31 by dazao
    [MS] (求助)极化问题    ( 1 2 ) (10/820) jinhongyan2009 2008-11-05 2009-03-06 12:14:18 by ilyx8050
    【求助】gamess的使用 (5/332) 043114076 2009-03-05 2009-03-06 01:42:47 by yalefield
    [Wien2k& ] 【求助】谁有wien2k计算的范例?    ( 1 2 ) (10/564) Wanghui6383 2009-02-11 2009-03-06 01:10:40 by kuner
    [Wien2k& ] 【求助】Wien2k软件下载 (6/956) pptang 2009-02-25 2009-03-05 21:56:36 by kuner
    [MS] <求助> 如何计算半导体材料(如ZnO)价带顶的能级 (3/549) sss3012 2009-03-04 2009-03-05 21:04:10 by kuner
    【求助】集群用户挂载 2 (4/575) raul0716 2008-12-10 2009-03-05 19:19:21 by coolrainbow
    [MS] 【求助】:关于discover (0/76) xutianjun 2009-03-05 2009-03-05 19:11:37 by xutianjun
    【求助】请帮忙看看这幅能带图的错误 8 (金币≥20)(7/113) idoldog 2009-03-04 2009-03-05 18:22:42 by y1ding
    [MS] [求助]用dmol3搜索过渡态时的问题 (评阅-2) (1/395) jnjnsun 2009-03-05 2009-03-05 16:11:47 by yzcluster
    [其他] 【求助】购买计算机服务器 (1/269) ustc 2009-03-05 2009-03-05 15:48:11 by ytu_cyc
    [MS] [求助]关于添加剂在金属表面的吸附模拟 5 (2/198) kakaxisensee 2008-11-25 2009-03-05 12:20:43 by qasd
    [MS] 求助:MS建模,自组装单层分子吸附物SAM (1/424) mmyuan220 2009-03-05 2009-03-05 12:19:38 by qasd
    [QE(Pwsc ] 『求助』PWSCF运行问题    ( 1 2 ) (10/676) bearpow 2009-02-03 2009-03-05 12:11:52 by 老虎大王
    [MS] 溶剂相容性的动力学模拟 (0/110) laoda402 2009-03-05 2009-03-05 10:41:58 by laoda402
    [Siesta& ] 【求助】linux版本VNL的安装问题 (2/222) hejun8035 2009-01-11 2009-03-05 10:20:24 by iamddba
    [MS] [求助] castep 安装4.4 lisence问题 (2/429) 舍得891 2009-02-23 2009-03-05 09:25:50 by wuli8
    [MS] [求助]用MS做分子动力学模拟的大致步骤 (2/359) jianchaoyv 2009-03-04 2009-03-05 08:22:20 by renwenpo
    [MS] 【求助】Discover模块支持外加电场么? (5/282) wwj_0905 2009-02-26 2009-03-04 23:10:08 by sdlgz
    [MS] 【求助】关于discover模块 (1/110) 黄随便 2009-03-04 2009-03-04 22:19:17 by qasd
    [MS] 【求助】画能带图只有点不画线可以吗? (4/390) idoldog 2009-03-04 2009-03-04 21:46:09 by idoldog
    [MS] 【求助】k点 (7/508) effi903 2009-03-03 2009-03-04 20:05:22 by jghe
    【求助】xmanager 能不能用代理? (2/177) jghe 2009-03-03 2009-03-04 19:52:50 by jghe
    【求助】两种配置的电脑哪个好,急!!!    ( 1 2 ) (13/644) Wanghui6383 2009-03-03 2009-03-04 17:55:52 by 老虎大王
    求助:Materials studio中用什么模块模拟多层膜? (5/443) yjmhkq 2009-03-03 2009-03-04 17:27:16 by zplmff
    [求助]文献下载 (2/93) wwj_0905 2009-03-04 2009-03-04 10:48:06 by dalongmao
    [MS] 【交流】怎么做聚合物 (7/373) 466902981 2009-02-20 2009-03-04 10:17:19 by 466902981
    [MS] [求助]Dmol中electrostatic potential图怎么做出来? (4/497) castep 2009-03-02 2009-03-04 09:01:30 by castep
    [MS] 【求助】:关于Dmol3软件包 (0/185) xutianjun 2009-03-04 2009-03-04 08:51:35 by xutianjun
    【求助】MS软件有哪些版本支持多核计算 (4/472) canbill 2009-03-03 2009-03-04 00:12:07 by yzcluster
    [MS] 求助:进行动力学的目的是什么? (2/151) 点点儿 2009-03-03 2009-03-03 20:56:51 by zxzj05
    [MS] 【求助】关于聚合物的性能的模拟分析 (2/124) xutianjun 2009-03-01 2009-03-03 18:45:07 by rjcdoudou
    [MS] [求助]有谁用MS计算过扩散系数? (9/768) 甜滋滋的风 2009-02-12 2009-03-03 18:43:32 by rjcdoudou
    [MS] [求助]MS 网关问题已经被高手解决 (8/726) hefang2005 2009-02-23 2009-03-03 18:30:14 by hefang2005
    [MS] 【求助】计算不能收敛,新手就指导 (4/477) nicholasyp 2009-03-03 2009-03-03 17:12:03 by nicholasyp
    【求助】如何计算两原子之间的键能? (4/903) jinhongyan2009 2009-03-03 2009-03-03 16:26:28 by yzcluster
    [MS] [求助]请教一个问题。 (2/74) deadbook 2009-03-03 2009-03-03 14:24:00 by deadbook
    [MS] [求助]如何构建层状模型 (5/511) amanda3536 2009-02-27 2009-03-03 14:11:54 by sss3012
    【求助】Discover能不能计算晶体?? (2/151) wwj_0905 2009-03-02 2009-03-03 12:37:17 by qasd
    [MS] [求助]关于用服务器进行计算 (7/491) jianchaoyv 2009-03-01 2009-03-03 10:59:12 by cationly
    [MS] 求助:氢氧化镁的晶体结构 (1/502) haina722 2009-03-03 2009-03-03 10:51:43 by jinhongyan2009
    [MS] 【求助】关于Hessian的选择 (0/80) wwj_0905 2009-03-03 2009-03-03 10:18:26 by wwj_0905
    [MS] [求助]怎么把原子序号标进结构? (3/732) zyj8119 2009-03-02 2009-03-03 08:33:41 by zyj8119
    [讨论]怎样用VASP计算缺陷能? (5/1092) xiaomagh 2009-02-20 2009-03-02 21:34:03 by chemofish
    [MS] 【求助】分子筛建模 (8/641) 玫瑰蜜 2008-08-26 2009-03-02 21:19:25 by cel0303
    [MS] 『求助』castep中关于磁性的设置    ( 1 2 ) (11/1869) daisyggg 2009-02-23 2009-03-02 20:22:04 by crante
    [求助]LMTO方法 (3/589) lvjian8596 2009-03-02 2009-03-02 19:01:45 by y1ding
    [MS] 【求助】这个错误怎么解决? (0/63) wwj_0905 2009-03-02 2009-03-02 18:34:47 by wwj_0905
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