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[热点] 售SCI-T0P文章，我:8O.5.5.1.O.54,科目齐全,可+急 X5bHxOULxFqb 2026-11-01 刚刚
[Vasp&Me ] 【求助】如何计算表面能及功函数？ (评阅+2) (1/319) lqxcts 2008-12-24 2008-12-24 15:32:57 by fegg7502
[Siesta& ] SCI上能查到的引用过ATK的文章（2008年数据）1 (评阅+8) (1/293) Rosen-luo 2008-12-23 2008-12-24 15:16:42 by Rosen-luo
[Siesta& ] Some information about ATK and VNL (评阅+6) (1/764) yipinchun 2008-12-24 2008-12-24 15:02:03 by yipinchun
[Siesta& ] 经典文章推荐 (3/608) Rosen-luo 2008-12-23 2008-12-24 13:52:47 by giep2008
[Siesta& ] SCI上能查到的引用过ATK的文章（2008年数据）2 (3/494) Rosen-luo 2008-12-23 2008-12-24 12:45:51 by csfn
[MS] 【交流】关于向分子筛中添加小分子计算扩散的问题 (评阅+3) (2/177) raul0716 2008-12-22 2008-12-24 10:44:35 by raul0716
【求助】任何做出t2g与eg劈裂的态密度 (8/1958) wysong 2008-12-10 2008-12-24 09:19:58 by wysong
[MS] 【求助】MS中可否构建置换固溶体类的晶体结构？ (4/1338) jaic-kit 2008-12-16 2008-12-24 08:29:26 by jaic-kit
【求助】Windows Linux双系统    ( 1 2 ) (10/925) xttide 2008-12-23 2008-12-23 23:02:38 by xttide
[MS] 【求助】MS在windows2003下的不能运行(50个金币） (评阅-19) (6/497) aaq2800 2008-12-23 2008-12-23 22:48:21 by aaq2800
[Siesta& ] 【求助】NDR效应的原因 (评阅+1) (7/1273) yuan888 2008-12-22 2008-12-23 22:13:59 by redhaier
[MS] 请教一下，MS怎样才能升级到4.4版本 (评阅-2) (2/229) pashanhu105 2008-12-23 2008-12-23 20:27:46 by kuner
[MS] [求助]ZnO晶胞中如何引入Cu离子掺杂 (7/995) sss3012 2008-12-17 2008-12-23 19:33:56 by aylayl08
[MS] 【求助]】K点如何设置 (评阅+1) (3/613) sss3012 2008-12-22 2008-12-23 18:48:39 by css8170
[Vasp&Me ] 表面计算求助 (评阅-2) (2/243) zhlc1985 2008-12-20 2008-12-23 18:45:36 by TIGERYZZ
[Siesta& ] 【求助】Electrostatic difference potential的问题 (评阅+1) (2/207) kangkanganan 2008-12-23 2008-12-23 17:18:57 by TIGERYZZ
[MS] 求助 (评阅+2) (2/147) 风筝9680 2008-12-23 2008-12-23 13:53:40 by ghcacj
请教缺陷问题，如何定义缺陷（杂质）的化合价？ (评阅-2) (8/1581) wangzj 2008-06-20 2008-12-23 10:47:03 by ztwang
【求助】形成能问题 (9/1411) sunyongcan 2008-09-07 2008-12-23 10:03:27 by liluyan
【求助】如何替换原子，不改变键长和键角 (评阅+1) (7/1042) freshgirl 2008-12-22 2008-12-22 22:53:46 by qasd
[求助]立方晶系的体模量如何计算?奖金币2！ (评阅+1) (4/608) jolly 2008-12-19 2008-12-22 22:38:28 by zrfssh
[Vasp&Me ] 【求助】Call ZHEGV failed?怎么解决？ (评阅+1) (2/119) cuihang 2008-12-22 2008-12-22 20:11:59 by wuchenwf
[Wien2k& ] WIEN2K--计算最准确的量化软件 (9/2528) wuli8 2008-11-25 2008-12-22 19:10:07 by 天空空
[Siesta& ] 【请教】关于计算元素的基组设置 (评阅+1) (4/581) fan0221 2008-12-21 2008-12-22 18:38:17 by fan0221
【求助】：跪求linux版本的materials studio (0/185) jingshanfeiyan 2008-12-22 2008-12-22 16:21:06 by jingshanfeiyan
[MS] 求ms for linux的下载链接 (评阅-2) (0/165) trickle111 2008-12-22 2008-12-22 16:19:12 by trickle111
[MS] 【讨论】用MS建立Ni3Sn时遇到问题 (评阅+3) (1/139) simon1226 2008-12-18 2008-12-22 13:34:11 by css8170
[MS] 【求助】MS 计算气体在活性炭微孔内吸附[截止12.30号] (4/714) min7781 2008-12-12 2008-12-22 12:15:49 by min7781
【求助】谁帮我分析一下这个态密度图？ (评阅+2) (8/1175) ocean08 2008-12-19 2008-12-22 11:19:06 by aylayl08
[其他] 【讨论】有没有ftp有效的资源？ (评阅+7) (0/156) yyx19840628 2008-12-22 2008-12-22 11:11:29 by yyx19840628
【求助】请帮我看下这个结果 (评阅+1) (3/354) wwj_0905 2008-12-19 2008-12-22 10:20:13 by wwj_0905
[其他] 【求助】求pgi7.2 以上的 license (评阅+2) (1/352) redhaier 2008-12-21 2008-12-22 09:42:19 by 灯塔守望者
[求助] Lev00程序包 (评阅+1) (3/543) wenxuan5788 2008-12-21 2008-12-22 09:30:42 by y1ding
[MS] 【求助】如何用MS建立一氧化碳分子 (4/979) ghcacj 2008-12-11 2008-12-22 09:21:42 by ghcacj
【求助】：如何安装wien2k，wien2k好用吗    ( 1 2 ) (11/2070) ymyang008 2008-05-12 2008-12-22 08:02:18 by fansw1129
[MS] 【求助】请教如何计算晶体的晶格能 (评阅+1) (0/201) wustliang 2008-12-21 2008-12-21 22:11:33 by wustliang
[MS] [求助]如何在MS中建立水合阳离子的模型 (评阅+1) (1/196) cup_lee 2008-12-20 2008-12-21 22:01:54 by qasd
[MS] 【求助】MS中Mullikon得到的charge和spin，还有HOMO轨道的等密度面的单位是？ (0/152) wmm－11 2008-12-21 2008-12-21 20:36:23 by wmm－11
[MS] [求助]CASTEP出错，请高手指教 (评阅+1) (2/727) wenxuan5788 2008-12-19 2008-12-21 13:09:36 by wenxuan5788
[MS] [求助]界面能从理论上讲能否为负值？ (评阅+1) (2/270) 干冰388 2008-12-20 2008-12-21 10:17:27 by 干冰388
[MS] dolm3 遇到问题 ，求助高手 (评阅-2) (1/356) chenyang17 2008-12-20 2008-12-21 09:02:30 by acridine
[MS] 【求助】Error in job preparation是什么错误？ (评阅+1) (0/179) allenjobsf853 2008-12-20 2008-12-20 20:47:11 by allenjobsf853
[MS] 【求助】LiAl合金模型构建 (2/193) wzyong123 2008-12-19 2008-12-20 15:54:37 by css8170
[MS] 【求助】MS 的discover 分析 concentrantion profile (0/133) yyx19840628 2008-12-20 2008-12-20 12:13:38 by yyx19840628
[Abinit] 【求助】用abinit怎么优化晶体体积 (8/963) xiaoxue7002 2008-12-16 2008-12-20 11:32:53 by xiaoxue7002
[MS] 【求助】过渡态搜索的问题 (评阅+1) (0/181) 58153365 2008-12-20 2008-12-20 10:09:04 by 58153365
【咨询】这个力收敛标准会不会太小 (5/438) ghzhong 2008-10-15 2008-12-20 02:23:59 by wuxiaoxia2008
[MS] castep中如何结合Born有效电荷计算介电常数？ (评阅-1) (0/353) fengtulip 2008-12-19 2008-12-19 21:36:14 by fengtulip
【求助】我画得3D图，怎么不能用鼠标来修改了 (5/307) wwj_0905 2008-12-19 2008-12-19 20:11:29 by wuchenwf
[MS] ms4.3怎么运行错误 (评阅-2) (3/401) yulifto8402 2008-12-19 2008-12-19 17:41:32 by dlyao
[MS] MS 4.2的license (3/494) awpsr 2008-12-19 2008-12-19 17:03:54 by zhengjinde
[Siesta& ] 做atk所需要的一些基础知识 (2/425) wzslg 2008-12-06 2008-12-19 16:24:45 by wzslg
[Siesta& ] Atomistix ToolKit (ATK) 2008.10与Virtual NanoLab (VNL) 2008.10下载 (4/1527) Rosen-luo 2008-12-18 2008-12-19 15:05:02 by moueor
[Vasp&Me ] 【求助】怎样看VASP优化完的晶体结构 (3/852) lxjuan 2008-09-20 2008-12-19 15:03:14 by zcyi
[Vasp&Me ] 【求助】关于FFT-mesh (评阅+1) (0/135) channe 2008-12-19 2008-12-19 14:12:39 by channe
【求助】ms4.3在linux下的安装中文说明 (2/324) yulifto8402 2008-12-19 2008-12-19 13:38:16 by zhengjinde
[Siesta& ] 【求助】用vnl计算的问题 (评阅+1) (6/579) yuan888 2008-12-17 2008-12-19 13:10:55 by Rosen-luo
[MS] 谁有ms4.3在linux下的安装详细过程啊？“ (5/532) yulifto8402 2008-12-18 2008-12-19 10:32:18 by dlyao
[MS] 【求助】MS4.2不能计算 (7/435) awpsr 2008-12-18 2008-12-18 21:07:02 by awpsr
[MS] [求助]MS 的Modify选项中的 charges 有什么作用 (1/165) sss3012 2008-12-18 2008-12-18 17:11:15 by aylayl08
[MS] 【求助】怎么用Dmol3算出来的不同构象的能量一样呢？ (0/139) wwj_0905 2008-12-18 2008-12-18 15:55:15 by wwj_0905
[Vasp&Me ] [求助]怎么通过vasp建立La的赝势文件 3 (3/584) qktscdx 2008-07-31 2008-12-18 15:53:44 by liluyan
[其他] 给大家推荐一个群 (1/122) dongdong3881 2008-12-18 2008-12-18 15:29:56 by wuli8
[MS] [讨论]MS的中Modify菜单中有Charge editing (0/90) sss3012 2008-12-18 2008-12-18 15:09:07 by sss3012
[Vasp&Me ] [求助]如何看每个元素所带的电量 (4/546) mermaid1128 2008-10-26 2008-12-18 14:18:59 by liluyan
[MS] 【求助】有效离子半径 (0/119) jieweiwei 2008-12-18 2008-12-18 14:16:35 by jieweiwei
[Vasp&Me ] 请教计算带电空位形成能时VBM怎么确定的 (1/321) chemofish 2008-11-13 2008-12-18 14:15:44 by liluyan
[MS] 【求助】能量优化 (0/129) wwj_0905 2008-12-18 2008-12-18 13:48:58 by wwj_0905
[MS] [求助]MS4.3 网关问题 (2/228) fah 2008-12-18 2008-12-18 12:10:42 by fah
[MS] 【求助】Discover计算出错 (8/955) raul0716 2008-12-03 2008-12-18 12:03:23 by wangyuan00
【求助】关于DFT (9/903) wwj_0905 2008-12-16 2008-12-18 11:24:30 by wwj_0905
[MS] 求助：如何能得到原子坐标？ (0/146) xutianjun 2008-12-18 2008-12-18 10:02:19 by xutianjun
[MS] 【讨论】想谢谢gasd，回答我很多问题，能开贴给他金币吗？ (0/82) yyx19840628 2008-12-18 2008-12-18 09:23:03 by yyx19840628
[Vasp&Me ] [求助]求lev00的中文说明，主要用来做电荷密度 (1/394) cos60 2008-12-17 2008-12-18 09:15:01 by ApolloYang
[MS] ms4.3里面的gaussian问题 (评阅-2) (0/164) zyj8119 2008-12-18 2008-12-18 09:02:07 by zyj8119
[MS] 【求助】初学MS，请教一个建模问题 (4/853) channe 2008-10-07 2008-12-18 01:24:41 by min7781
[MS] 求助: graphene建模 (3/692) 小小金书签 2008-10-28 2008-12-18 01:14:45 by min7781
[MS] [求助]castep 优化碳纳米管 (3/535) gaussian08 2008-11-24 2008-12-18 01:04:42 by min7781
[MS] 【求助】请大家帮忙计算反应式的反应焓 (2/201) xuelian172 2008-11-24 2008-12-18 00:07:21 by chenyang17
[MS] 求助 Materials-studio 软件能否模拟金属配位键 (1/285) fpm_597 2008-12-17 2008-12-17 22:55:18 by qasd
【求助】VASP收敛问题    ( 1 2 ) 10 (12/1218) heshun 2008-11-24 2008-12-17 22:27:07 by stractor
[QE(Pwsc ] [求助]pwscf编译    ( 1 2 ) (14/1584) huangyc 2008-11-21 2008-12-17 21:44:38 by superest
[QE(Pwsc ] ./configure安装程序时，报错 (评阅-2) (4/876) ruixue 2008-12-10 2008-12-17 21:41:46 by superest
[MS] 表面问题 (1/186) zhouzhongjunzzj 2008-12-17 2008-12-17 21:00:59 by yyx19840628
[MS] 【求助】关于建模 (0/98) wyez 2008-12-17 2008-12-17 19:40:41 by wyez
[MS] [求助]MS 3.2 for linux 的安装问题    ( 1 2 ) (11/929) bshliu 2008-07-09 2008-12-17 19:20:26 by shuyu2004
[Vasp&Me ] vasp计算态密度问题 (5/1074) yinwei_li 2008-11-17 2008-12-17 19:18:22 by 搞理论的
[MS] 【求助】MS在Linux中的安装问题 (2/226) hdh912 2008-12-17 2008-12-17 18:14:17 by hdh912
[MS] 【求助】如何提高MS中建模出来的图的分辨率 (评阅+1) (6/795) goaliman 2008-12-14 2008-12-17 16:54:58 by 搞理论的
[其他] 求助 NiSi的晶体结构 (1/150) yqxuefei 2008-12-13 2008-12-17 15:44:16 by yqxuefei
[MS] 【求助】MS4.2的完整License文件 (3/481) 大匠文莽 2008-12-17 2008-12-17 11:04:30 by q68
【求助】如何实现 wien2k lapw0并行计算 (3/561) allawwp 2008-05-26 2008-12-17 10:20:57 by yichenliu
[Vasp&Me ] [求助]vasp算出的电子云密度反映出共建键的强弱或者什么？ 5 (0/199) leongxf 2008-12-17 2008-12-17 09:27:10 by leongxf
[MS] 【求助】《固体能带理论》谢希德陆栋    ( 1 2 ) (13/1201) 亚楠 2008-11-03 2008-12-17 09:10:08 by jackapple
[MS] 【求助】 Discover 氢键 (7/833) tttl060 2008-11-19 2008-12-16 19:23:50 by yitahutu
[MS] 【讨论】计算失败 成功 (0/91) jieweiwei 2008-12-16 2008-12-16 19:00:21 by jieweiwei
[MS] 【求助】怎么看这个掺杂能级 (0/191) 程伟686 2008-12-16 2008-12-16 16:55:38 by 程伟686
[MS] 【求助】关于提交作业 (0/101) wwj_0905 2008-12-16 2008-12-16 15:16:49 by wwj_0905
[Siesta& ] 重新传vnl和atk说明书 (1/735) wzslg 2008-12-16 2008-12-16 15:13:53 by wzslg
[MS] 花大量的金币请教解决远程控制MS计算的问题 (评阅-2) (6/911) caqhero 2008-12-13 2008-12-16 14:02:33 by zhengjinde
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