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[热点] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 xvJS1BYDxvBS 2026-11-01 刚刚
[MS] 【求助】Amorphous Cell Construction对polymer进行construct时出错    ( 1 2 ) (11/1199) 百合绘梦 2009-03-30 2009-04-01 19:59:47 by pumf
[MS] 【求助】√3×√3的pt(111)表面如何建立? (4/781) xiaofeiyu0 2009-03-31 2009-04-01 17:56:04 by yhjiangshiyu
[MS] 【求助】表面模型的厚度问题 (5/502) yinboseusm 2009-04-01 2009-04-01 17:55:22 by randome
[MS] 【求助】ZnO晶格结构问题? (5/516) 050610727 2009-04-01 2009-04-01 16:58:37 by 050610727
[MS] 【求助】ZnO晶面切割 (2/501) yongyong2050 2009-04-01 2009-04-01 16:30:10 by 后天一
[MS] 【求助】CASTEP服务器run job的问题 (6/681) nicholasyp 2009-04-01 2009-04-01 16:08:07 by 后天一
[MS] 【求助】关于晶体优化问题 (6/889) tongligen 2009-03-25 2009-04-01 16:07:17 by gavinliu7390
[MS] 【求助】如何得到聚合物弹性模量 (5/1842) 466902981 2009-03-27 2009-04-01 14:35:02 by 466902981
[其他] 【求助】如何绘制轨道能级示意图 (2/415) 后天一 2009-04-01 2009-04-01 12:17:02 by spur
[MS] 【求助】DPD中聚合物的特征比怎么求 (1/197) crescent7383 2009-04-01 2009-04-01 10:50:52 by cel0303
[MS] 【求助】那位高手知道半导体的电负性怎么算吗? (4/1340) real8188 2009-03-29 2009-04-01 10:27:35 by zxzj05
[其他] 【求助】请问一个关于CPMD的低级问题 (7/434) 皓儿165 2009-03-30 2009-04-01 10:11:50 by 皓儿165
[MS] 【求助】用Dmol对金属单晶(111)面的结构优化结果与实验及常理有矛盾,望高手指点 (1/265) 天棚元帅 2009-04-01 2009-04-01 10:09:00 by zxzj05
[MS] 【求助】Dmol3计算问题 (2/342) 151749364 2009-03-02 2009-04-01 10:06:22 by 151749364
[求助]k点优化    ( 1 2 ) (10/1126) nkleof 2009-03-19 2009-04-01 09:41:20 by lidonglin556
[MS] 【讨论】晶胞参数中u啥意思    ( 1 2 ) (11/2205) zoujuanzi 2009-03-30 2009-04-01 09:18:11 by 化学小工
[MS] 【求助】MS (0/125) zbw1984717 2009-04-01 2009-04-01 08:50:44 by zbw1984717
[MS] 【求助】請問castep的錯誤�?息,附上castep文件 (0/128) a405352000 2009-04-01 2009-04-01 00:47:02 by a405352000
【求助】请问势库在哪里可以找到? (6/517) p.k.g 2009-03-31 2009-03-31 22:25:42 by p.k.g
[MS] 【求助】态密度积分    ( 1 2 ) (11/1000) xiaoboy185 2008-11-15 2009-03-31 20:49:51 by zxzj05
[MS] 【求助】AlxGa1-xN模型如何建? (2/157) chzhmei 2009-03-31 2009-03-31 20:40:24 by chzhmei
[MS] [求助]关于用Material Studio进行分子力学(MM)模拟计算    ( 1 2 ) (15/1251) kakaxisensee 2009-03-21 2009-03-31 20:31:21 by zxzj05
【求助】关于MS中的动画 (5/640) dezhi603 2009-03-28 2009-03-31 18:27:51 by 化学小工
[MS] 【求助】过渡态搜索 (4/648) jnjnsun 2009-03-30 2009-03-31 17:51:29 by 柯米
[其他] 【求助】如何计算金属间化合物的形成能 (0/175) xwenlong 2009-03-31 2009-03-31 17:36:12 by xwenlong
【求助】请问一下B、C、N、O四种非金属结构 (1/188) xczhou2008 2009-03-31 2009-03-31 14:43:37 by sss3012
【求助】如何增大碳纳米管的直径 (8/708) Dream-weaver 2009-03-25 2009-03-31 14:23:24 by Dream-weaver
【求助】MS中Dmol3模版如何进行能态密度的计算? (2/302) chzhmei 2009-03-31 2009-03-31 13:35:51 by chzhmei
[Vasp&Me ] 【求助】电极化的单位electrons Angst (金币≥3)(1/49) xwyan 2009-03-31 2009-03-31 12:17:38 by xwyan
[求助] vasp中计算得到的极化率绝对值 (7/1594) lxjuan 2009-03-27 2009-03-31 10:11:13 by superest
[Vasp&Me ] 【求助】VASP计算得到的极化率输出文件,怎样得到总的极化率 (1/274) lxjuan 2009-03-31 2009-03-31 10:06:53 by superest
[MS] 【求助】差分电荷密度图 (0/399) caoshangfei2007 2009-03-31 2009-03-31 08:57:00 by caoshangfei2007
[Wien2k& ] 【求助】Wien2k计算! (3/486) Wanghui6383 2009-03-30 2009-03-30 20:32:24 by wuli8
[Wien2k& ] 【求助】初始化遇到问题 (1/192) 小胖妹yz 2009-03-30 2009-03-30 20:18:27 by shxincui518
[Wien2k& ] [求助]结构优化步骤    ( 1 2 ) (14/1979) nkleof 2009-03-21 2009-03-30 19:55:39 by 老虎大王
[Wien2k& ] 【讨论】LDA+U计算问题 (2/325) shiy 2009-03-23 2009-03-30 19:42:41 by 小胖妹yz
[其他] 【求助】用cpmd进行大分子的结构优化 (2/207) 皓儿165 2009-03-25 2009-03-30 16:59:33 by 皓儿165
[MS] [求助]求助由两种物质组成的超晶格结构 (1/207) hpli517 2009-03-27 2009-03-30 15:40:19 by zdhlover
[Vasp&Me ] [求助】态密度问题 (1/542) sure1027 2009-03-26 2009-03-30 15:34:19 by zdhlover
【求助】【求助】 CASTEP计算的布居值 (2/464) 好好学习772 2009-03-30 2009-03-30 15:32:20 by aylayl08
[MS] 精华I:  一个CASTEP的简介和详细教程ppt    ( 1 2 ) (93/12023) aylayl08 2008-03-30 2009-03-30 13:53:45 by ysh
[MS] files have been left on remote server, these may need to be manually archived (评阅-2) (1/128) xalixp 2009-03-22 2009-03-30 12:35:21 by ilyx8050
【求助】怎样用MS建立交联结构? (1/206) mmyuan220 2009-03-29 2009-03-30 12:30:46 by saitou
[其他] 【共享】计算化学 (4/625) zxzj05 2009-03-09 2009-03-30 12:24:32 by dcbb0217
【求助】关于CASTAP中CO在Pd表面吸附例子的问题 (4/676) 375713000 2009-03-25 2009-03-30 11:58:54 by ilyx8050
[Siesta& ] 【求助】这个错误是什么 (8/636) hora0212 2009-03-23 2009-03-30 11:54:01 by zdhlover
[MS] 【求助】吸附建模问题!    ( 1 2 ) (11/999) 375713000 2009-03-16 2009-03-30 11:50:02 by ilyx8050
[MS] 【求助】怎样构建晶体的非晶模型? (6/641) pengyinqia 2009-03-28 2009-03-30 11:30:54 by pengyinqia
[MS] 在计算的时候什么情况下勾选Spin polarized    ( 1 2 ) (评阅-2) (10/1596) 风筝9680 2009-03-25 2009-03-30 11:21:42 by ilyx8050
[QE(Pwsc ] [求助]远程服务器安装pw错误 (2/306) cheapskate 2009-03-21 2009-03-30 11:17:31 by lidonglin556
[MS] 请教MS中DMol3计算运行时出现无法进行的问题 (2/572) kelly82811 2009-03-29 2009-03-30 11:08:37 by kelly82811
[QE(Pwsc ] 【求助】:pw计算声子停止的问题 (5/343) lylemon 2009-03-27 2009-03-30 10:55:07 by lidonglin556
【求助】到底怎么理解smearing 啊? (7/1055) 风筝9680 2009-03-26 2009-03-30 10:43:51 by study163
[求助]笔记本能运算吗 (7/897) S074553 2009-03-29 2009-03-30 10:18:49 by madonion
【求助】求一个计算功函数的脚本 (5/627) dazao 2009-03-27 2009-03-30 09:30:52 by dazao
[其他] 【求助】后过渡金属包含哪些元素? (1/147) xiaowandouer 2009-03-29 2009-03-30 08:22:42 by xiaowandouer
[MS] [求助]:合金退火(forcite模块) (1/286) qx08131989 2009-03-27 2009-03-30 00:14:39 by kuner
[MS] MS4.3castep计算能量的时候不出现能量收敛图,如何解决 (评阅-2) (2/340) stiovy 2009-03-27 2009-03-29 23:59:48 by kuner
[Wien2k& ] 【求助】wien2k可以算亚铁磁性吗? (2/298) fanguright 2008-04-23 2009-03-29 23:23:53 by shenhuxi
[Vasp&Me ] 求助:如何给体系加磁场 (0/162) wmh19889 2009-03-29 2009-03-29 21:00:50 by wmh19889
[Vasp&Me ] 【求助】能量 (0/119) gfei2008 2009-03-29 2009-03-29 16:45:10 by gfei2008
[Vasp&Me ] 求助:如何使用LDA+U 和GGA+U (1/353) yzhxtu 2009-03-29 2009-03-29 14:03:17 by y1ding
[MS] s (0/114) aqsw3141 2009-03-29 2009-03-29 13:57:03 by aqsw3141
[MS] 求助:MS压强的控制方法 (1/222) 点点儿 2009-03-17 2009-03-29 10:17:26 by pumf
[MS] 【求助】磷酸根建模 (0/133) pumf 2009-03-28 2009-03-28 23:12:30 by pumf
[MS] 【求助】Forcite模块中文版帮助 (4/502) pumf 2009-03-28 2009-03-28 21:50:18 by qasd
【求助】问个使用CPU的问题 (7/429) 375713000 2009-03-28 2009-03-28 20:49:16 by 375713000
【求助】关于Discover 运算的问题 (6/896) pumf 2009-03-24 2009-03-28 13:55:48 by qasd
[MS] 【求助】Discover 动力学分析偶极自相关系数 (6/540) yitahutu 2009-03-26 2009-03-28 10:47:44 by yitahutu
【求助成功】Forcite结果分析 (7/1028) pumf 2009-03-23 2009-03-28 10:40:20 by pumf
[MS] xsd文件不能另存 (评阅-2) (1/135) singlecat 2009-03-27 2009-03-28 10:12:51 by qasd
[MS] [求助]Ag2In 结构 (0/98) 学员H1RkcJ 2009-03-28 2009-03-28 09:51:06 by zw_tju
[Vasp&Me ] [求助]Brich-Murnaghan状态方程拟合时晶格常数步长取多少合适 (2/685) liumiao05 2009-03-27 2009-03-27 23:32:17 by y1ding
[MS] (求助)为什么安装的ms4.4不能掺杂? (2/239) flaipeng 2009-03-27 2009-03-27 23:25:11 by y1ding
[MS] (求助)为什么安装的ms4.4不能掺杂? (评阅-2) (0/215) flaipeng 2009-03-27 2009-03-27 22:18:37 by flaipeng
【求助】MS4.3不能计算 (5/548) hongchen973 2009-03-26 2009-03-27 22:07:23 by phy5788
[Siesta& ] [讨论]整流比出现两个峰 (评阅+2) (1/282) xiekf1985 2009-03-02 2009-03-27 20:03:11 by fan0221
【求助】MS中建模,怎么才能改变晶胞某一长度,却不改变原子位置 (6/1062) hjlyyc 2009-03-27 2009-03-27 19:48:16 by hjlyyc
[MS] 【讨论】关于CNT的k点选取 (8/540) frogwoman 2009-03-20 2009-03-27 16:59:38 by 化学小工
[MS] 【求助】MS 在服务器上安装网关的问题 (2/395) hdh912 2009-03-25 2009-03-27 16:03:47 by iamddba
[MS] (求助)MS软件中的CASTEP模块计算一维纳米线 (4/654) skyzhangy 2009-03-24 2009-03-27 16:00:07 by skyzhangy
[MS] 【求助】缺陷形成焓的计算公式 (4/797) jieweiwei 2009-03-26 2009-03-27 14:24:17 by jieweiwei
[MS] 【求助】无法出现能量收敛的图表 (1/148) wwj_0905 2009-03-26 2009-03-27 12:58:01 by wwj_0905
[MS] 【求助】文件名没有后缀 (7/616) wwj_0905 2009-03-25 2009-03-27 12:57:39 by wwj_0905
[Vasp&Me ] 【求助】关于偶极矩 (3/606) 小艾丫丫 2009-03-25 2009-03-27 10:03:13 by 小艾丫丫
[MS] 【求助】请教高手何为hessian (0/540) frogwoman 2009-03-27 2009-03-27 09:20:01 by frogwoman
[MS] 【求助】能否用DPD模拟微乳? (3/228) 双旗镇刀客 2009-03-25 2009-03-27 09:06:13 by qasd
[MS] 求助 (3/186) yueya9113 2009-03-26 2009-03-27 08:43:30 by yueya9113
[MS] [求助]掺杂原子选择问题 (4/714) lycoco 2009-03-25 2009-03-27 01:26:59 by chemofish
[MS] 有没有模拟高分子溶胀的软件 (评阅-2) (0/145) 王晗868 2009-03-26 2009-03-26 22:22:13 by 王晗868
[MS] (求助)这个模型怎么建? (评阅-2) (1/163) 黄随便 2009-03-26 2009-03-26 21:07:39 by vbaov
[MS] 求问:如果计算一个晶体的强度,用什么软件好呢? (5/528) w2056275 2009-03-26 2009-03-26 19:39:40 by vbaov
[MS] [求助]Si掺杂AlN的应用 (1/278) 程伟686 2009-03-26 2009-03-26 19:30:52 by vbaov
[Vasp&Me ] [求助] transition energy 是什么东西,怎么计算? (1/168) amynliou 2009-03-25 2009-03-26 18:52:51 by y1ding
[MS] 【求助】在pcffl力场中如何定义高氯酸盐中的原子 (4/300) sunshine7788 2009-03-26 2009-03-26 18:11:16 by qasd
[MS] 【求助】Discover能添加溶剂化作用吗? (3/299) hongchen973 2009-03-26 2009-03-26 18:04:04 by qasd
[MS] 求助:origin7.0 分段积分 (4/684) qx08131989 2009-02-23 2009-03-26 17:21:18 by liubainian
[MS] 【求助】判断平衡 (6/629) renwenpo 2009-03-26 2009-03-26 17:16:09 by 老虎大王
[MS] 【求助】: 由偶极相关函数如何求红外? (2/127) xutianjun 2009-03-26 2009-03-26 16:48:52 by xutianjun
[MS] 【求助】知道晶体参数如何建模型 (2/317) yding99 2009-03-26 2009-03-26 15:24:30 by gavinliu7390
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