24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|1ST强帖排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 订阅

管理团队 (金币库 94048.7 充值 )

主管区长：
月只蓝小红豆
主管版主：
漫天飘雪蛋蛋小童鞋franch

杰出贡献者

专家顾问：
souledge卡开发发dxcharlaryjpchou
荣誉版主：
spurzdhloverwuchenwfwuli8aylayl08zxzj05nono2009fegg7502youzhizhezzy870720zuuv2010御剑江湖yjcmwgkliliangfangben_ladengcenwanglaifzx2008ljw4010
荣誉成员：
ym23yjmaxpaynexirainbowwatermallice_rainstudy163minmin_0082003yllipro_junjieellsakingmazuju028zjuerstractorgzqdyouxiazhang668WDD880227y1ding
905183/91首页上一页818283848586下一页
全部 热点前沿问题讨论 MS Vasp&MedeA Wien2k&FLAPW&ELK Abinit Siesta&Smeagol&Atk QE(Pwscf) 资源 其他 版务

存档说明

  • 提示：您目前浏览的是本版块存档区的帖子列表。点击这里进入本版块最新列表
    • 回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
    [热点] 心脉受损 偏振片 2025-12-18 刚刚
    [MS] [关贴][分享]能带绘制动画(很不错) (评阅+2) (4/515) q68 2008-06-26 2008-06-27 09:20:22 by 天外飞仙811
    [求助]怎样知道平面波数目？ (2/105) nature617 2008-06-26 2008-06-27 07:42:44 by hufeng
    [MS] [求助]能带计算问题 (5/387) watermall 2008-06-26 2008-06-27 07:12:21 by aylayl08
    [MS] CCDC GOLD V3.0.1 (23/1148) suntao1982 2007-08-08 2008-06-26 23:24:21 by wingcat
    [MS] [求助]求Materials Studio 4.3的linux (2/227) lightgjx 2008-06-26 2008-06-26 22:07:16 by zhengjinde
    [MS] [求助]:声子谱计算问题 2 (4/510) 58153365 2008-06-26 2008-06-26 21:55:41 by 58153365
    [MS] 【求助】周期性问题 (3/414) harry_ll8228 2008-06-22 2008-06-26 21:05:48 by harry_ll8228
    【求助】一端封闭的碳纳米管如何建立谢谢！！！ (6/824) siuchun 2008-06-12 2008-06-26 18:14:11 by Eileen7600
    [MS] ［求助］请教MS基矢问题 (0/85) xixi1007 2008-06-26 2008-06-26 18:12:13 by xixi1007
    【求助】请问在MS中进行几何优化？ (8/2671) hhj0514 2008-06-19 2008-06-26 16:20:14 by hopingzmn
    [MS] 如何在materials studio中显示原子编号？    ( 1 2 ) (评阅-2) (16/4878) wtianxing 2008-03-16 2008-06-26 16:09:54 by Eileen7600
    [MS] 麻烦你请给我发一个吧 (1/149) 378287892 2008-06-26 2008-06-26 14:51:23 by ocean08
    【求助】请问计算类的文章一般投哪个杂志阿 (6/872) xiaoyuehua 2008-06-25 2008-06-26 10:09:22 by xiaoyuehua
    [MS] 【求助】如何计算电磁场 (2/338) chemistry 2008-06-19 2008-06-26 09:42:32 by orion416
    [求助]　ＮＯ吸附在金属表面后投影态密度问题？？ (2/219) hfyg2001 2008-06-25 2008-06-26 09:32:05 by hfyg2001
    [MS] 【求助】castep中E-V图的拟合 (1/212) lyanmin1112 2008-06-25 2008-06-26 09:06:26 by aylayl08
    【求助】用MS计算，需要多大的内存比较合适？ (9/1638) 378287892 2008-06-09 2008-06-26 08:55:31 by zorro545
    【求助】外行请教1个小问题 (5/419) wanshidaji 2008-06-25 2008-06-26 08:53:50 by aylayl08
    [MS] 【讨论】投的 langmuir落入德国马普一编辑之手 (3/713) wzg33 2008-04-16 2008-06-26 00:02:53 by zhangsky8812
    [MS] [求助]各位:有关掺杂原子模拟问题 (1/165) ruiyan 2008-06-25 2008-06-25 19:51:44 by jghe
    [MS] 求助castep中怎么设定温度？ (1/198) lyanmin1112 2008-06-25 2008-06-25 16:12:13 by qx0813
    [MS] [求助]castep中怎么设置 (6/906) harry_ll8228 2008-06-24 2008-06-25 14:33:41 by harry_ll8228
    [MS] 【求助】blends计算问题 (1/93) bob0921 2008-06-24 2008-06-25 11:50:49 by bob0921
    [MS] 【求助】discover报错 (0/75) harry_ll8228 2008-06-25 2008-06-25 11:29:11 by harry_ll8228
    [MS] 【求助】我的计算模型为什么不运行了呢，请大家帮我分析分析是怎么回事啊？    ( 1 2 ) (12/768) 066040223 2008-06-23 2008-06-25 11:01:38 by hjlyyc
    【求助】vasp比较总能量应该看free energy还是energy without entropy (9/2308) zhuly 2008-06-06 2008-06-24 21:00:01 by cationly
    [MS] [求助]导带最低点不在高对称点说明什么问题啊？ (2/220) minbad 2008-06-24 2008-06-24 20:34:54 by minbad
    [MS] [请教]castep计算界面模型时的键合问题 (1/209) 干冰388 2008-06-24 2008-06-24 20:00:51 by acridine
    【求助】64位系统Dmol3无法运行 (2/341) sdjgdu 2008-06-08 2008-06-24 17:08:48 by jsjmn
    【求助】如何用MS构建晶体原胞？ (3/1193) juloong 2008-06-24 2008-06-24 17:06:33 by zuozhijun5134
    【求助】如何用MS计算分子的偶极矩 (1/1542) initial_zh 2008-06-24 2008-06-24 14:22:11 by 北宸
    [MS] 【求助】用MS能否模拟岩心缝合线 (2/170) 05042604 2008-06-23 2008-06-23 23:26:49 by 05042604
    【求助】makefile with MKL 10.0 for vasp.4.6.34 (评阅+5) (2/268) wonvein 2008-06-23 2008-06-23 21:44:24 by wonvein
    [MS] [求助]CASTEP作几何优化 (5/577) mengsk 2008-06-23 2008-06-23 21:02:48 by mengsk
    【求助】ms在WINDOWS系统下的并行运算 (5/741) 066040223 2008-05-19 2008-06-23 17:21:43 by 066040223
    [MS] 【求助】二茂铁在MS中怎么构筑 3 (6/857) littlestone2006 2008-05-15 2008-06-23 16:01:14 by awpsr
    【求助】问个关于Materials Studio中模型构建的问题 (3/446) ljyang320 2008-05-31 2008-06-23 15:44:26 by awpsr
    [MS] 【求助】MS计算纳米管的K点设置？ (1/124) smazz 2008-06-23 2008-06-23 15:37:07 by wuli8
    [MS] 【求助】Materials-Studio安装问题 (4/615) polyoxometalate 2008-06-20 2008-06-23 11:32:20 by awpsr
    [Vasp&Me ] lev00程序包 (17/1790) liubainian 2008-03-26 2008-06-23 09:29:57 by ocean08
    【求助】VASP计算碳纳米管带隙 (4/995) jghe 2008-05-22 2008-06-23 09:13:39 by y1ding
    【求助】谁来帮我看看这个关于k的收敛图是怎么回事啊 (4/407) 066040223 2008-06-22 2008-06-23 09:09:23 by 066040223
    [MS] 【求助】晶体结构 3 (4/460) duhongchen123 2008-06-21 2008-06-22 16:59:47 by sduzsw
    [MS] [求助]dmol结构优化不收敛 (2/431) zjuer 2008-06-21 2008-06-22 15:01:19 by 58153365
    [MS] 【求助】如何在linux下安装MS做并行计算 (2/549) xiaowandouer 2008-06-20 2008-06-22 10:43:49 by xiaowandouer
    [MS] 【求助】弹性模量与occuoancy 3 (3/498) liu_dong88 2008-06-22 2008-06-22 10:40:49 by aylayl08
    [Vasp&Me ] [求助]vasp考虑自旋轨道耦合,怎么得到轨道磁矩呢? (1/514) zhuly 2008-06-21 2008-06-22 10:38:39 by zhuly
    [MS] 【求助】CASTEP结构优化问题 (2/369) anvier 2008-06-20 2008-06-22 09:28:33 by aylayl08
    [MS] 【求助】Material Studio中表面再构如何实现 (1/135) yangjuan223588 2008-06-21 2008-06-22 08:57:03 by zuozhijun5134
    [MS] 【求助】Material Studio中表面再构如何实现 (0/288) yangjuan223588 2008-06-21 2008-06-21 22:18:49 by yangjuan223588
    [MS] 求助 3 (评阅-2) (2/405) duhongchen123 2008-06-21 2008-06-21 20:52:20 by zjuer
    [MS] [求助]Mesotek模块 (1/224) weijie08 2008-06-21 2008-06-21 10:10:32 by dige1863
    【求助】如何删除一个project (6/758) mengsk 2008-06-20 2008-06-21 08:57:07 by aylayl08
    [MS] 【求助】关于K点设置 (6/1124) smazz 2008-06-20 2008-06-20 20:31:04 by jghe
    【求助】如何解决 MS 4.3 gateway time out (7/1159) hjlyyc 2008-06-20 2008-06-20 19:10:35 by aylayl08
    【求助】 (3/277) xuelian172 2008-03-01 2008-06-20 16:43:31 by xuelian172
    [MS] [关贴]求助：谁来帮我看看这个关于k的收敛图是怎么回事啊 (0/74) 066040223 2008-06-20 2008-06-20 15:57:32 by 066040223
    [MS] 求助一个MS模拟晶体结构 5 (2/393) 墨香 2008-06-07 2008-06-20 14:54:43 by anvier
    [MS] 【求助】k值和kpoint点的联系 (1/630) 066040223 2008-06-20 2008-06-20 11:02:09 by sduzsw
    [MS] 【求助】CASTEP 无法运行 (5/468) liu2004m 2008-06-18 2008-06-20 10:45:29 by aylayl08
    [MS] 【求助】Ms计算层错能 (4/847) szhuoxia 2008-06-17 2008-06-20 08:46:00 by lei0736
    [MS] [求助]如何利用MS研究材料的隔热性能 (1/232) weijie08 2008-06-19 2008-06-20 06:20:03 by weijie08
    [MS] 【求助】有关吸附能计算的问题 5 (2/526) daniel2001 2008-06-17 2008-06-19 20:09:39 by zyy816
    [MS] 【求助】Amorphous Cell Analysis出错 (0/220) qlzhang 2008-06-19 2008-06-19 18:11:31 by qlzhang
    [MS] 【求助】建立层错 (0/319) szhuoxia 2008-06-19 2008-06-19 16:58:44 by szhuoxia
    [MS] 【求助】请问怎样用MS画出SiC纳米线的晶体结构 (2/424) 小蚂蚁1980 2008-06-18 2008-06-19 12:54:32 by 小蚂蚁1980
    [MS] 【求助】关于在施加力的问题 (0/269) harry_ll8228 2008-06-19 2008-06-19 11:17:16 by harry_ll8228
    [求助] 利用分子动力学方法如何计算体系的粘度？ (1/689) ustbmars 2008-06-19 2008-06-19 10:38:13 by piaobo615
    【求助】VASP中的INCAR里哪个是控制计算单个原子的磁矩的呀？ (4/630) wmm－11 2008-06-17 2008-06-19 08:46:13 by wmm－11
    【求助】周期性边界条件 (5/1119) zplmff 2008-06-17 2008-06-18 20:48:29 by zplmff
    【求助】MS模拟加热    ( 1 2 ) (10/953) harry_ll8228 2008-06-15 2008-06-18 20:41:25 by zplmff
    [MS] ［求助］如何计算界面张力？ 6 (0/738) daniel2001 2008-06-18 2008-06-18 18:51:03 by daniel2001
    [MS] 【求助】请问有序参数怎么计算 2 (0/414) qlzhang 2008-06-18 2008-06-18 17:48:31 by qlzhang
    [MS] [求助] 能否通过计算“4阶 取向相关函数”？ (0/243) arandy 2008-06-18 2008-06-18 15:37:29 by arandy
    [MS] 欢迎加入MS群60914124    ( 1 2 ) (评阅+3) (10/1086) luoqiquan 2008-04-29 2008-06-18 13:37:22 by lyanmin1112
    ［求助］请问vasp中的磁性的读取    ( 1 2 ) (10/1047) ztwang 2008-05-03 2008-06-18 12:57:16 by wmm－11
    [MS] DPD计算中的Topology怎么设置合适？ 1 (评阅-2) (1/285) 朵朵1919 2008-06-11 2008-06-18 12:21:27 by lei0736
    [MS] 【求助】哪位高手帮忙分析一下出错原因 2 (2/303) wanglin2788860 2008-06-18 2008-06-18 12:08:58 by wanglin2788860
    [MS] 有关吸附能的讨论 (评阅-2) (2/374) daniel2001 2008-06-16 2008-06-17 22:15:32 by daniel2001
    [MS] [求助]请问键的布局值怎样计算？ (2/587) wuli8 2008-06-17 2008-06-17 21:14:25 by wuli8
    [MS] 【求助】MS中看到模型变形的动态过程 (5/759) zplmff 2008-06-17 2008-06-17 21:02:50 by acridine
    [MS] 【求助】在display style中lattice中original和default之间有什么区别？ (1/1129) 378287892 2008-06-16 2008-06-17 17:37:52 by chunwang
    [MS] [求助]：怎样看优化后的结构是否有虚频 (1/509) sllmnls 2008-06-17 2008-06-17 15:23:49 by javy
    [MS] 【求助】关于reflex的出错问题 (0/336) plumloop 2008-06-17 2008-06-17 15:21:36 by plumloop
    [MS] 【求助】NPT (3/566) zplmff 2008-06-16 2008-06-17 12:40:47 by zplmff
    [MS] 【求助】请问如何在material studios 里施加力 (2/831) harry_ll8228 2008-06-14 2008-06-17 12:35:07 by zplmff
    ［求助］用lev00处理vasp算得的电荷密度的问题 (3/560) sunyongcan 2008-05-31 2008-06-17 11:25:19 by cuihang
    [MS] [求助]ms的安装运行问题！ (2/440) kanminbad 2008-06-15 2008-06-17 11:09:39 by lisa837
    【求助】有关单位的问题 (1/257) yuerainsea 2008-06-17 2008-06-17 10:38:55 by aylayl08
    【求助】如何方便的把四个图合成一个 (4/521) zhxd86 2008-06-16 2008-06-17 09:41:39 by sduzsw
    [MS] 【求助】计算失败 (0/214) wxl19830403 2008-06-17 2008-06-17 08:54:08 by wxl19830403
    【求助】在display style中lattice中original和default之间有什么区别？ (1/989) 378287892 2008-06-16 2008-06-17 08:47:00 by liliracial
    [MS] [求助]discover中.xtd文件怎么导出某一个原子在各时刻的坐标 (2/335) wujianyang 2008-06-16 2008-06-17 01:46:56 by wujianyang
    [MS] [求助]关于过渡态 (4/688) smazz 2008-06-16 2008-06-16 18:25:28 by aylayl08
    【求助】建模时如何将一吸附分子固定在supercell表面上方的某一位置？ (8/747) 378287892 2008-06-11 2008-06-16 09:15:21 by raul0716
    [MS] 求助图形拟合问题 20 (0/255) kiwi14 2008-06-15 2008-06-15 20:42:55 by kiwi14
    [MS] [求助]这是什么错误啊? (1/414) smazz 2008-06-13 2008-06-15 17:53:52 by qlzhang
    [MS] 交流castep的计算问题 (2/523) scdxchenfang 2008-06-15 2008-06-15 16:07:01 by scdxchenfang
    [MS] 【求助】优化结构,能量增大,怎么处理啊 (2/300) scdxchenfang 2008-06-14 2008-06-14 17:06:35 by scdxchenfang
    [MS] 提供materials studio 合作计算服务 (3/628) yzk133 2008-06-11 2008-06-14 14:58:40 by yzk133
    905183/91首页上一页818283848586下一页
    相关版块跳转
    查看