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[热点] 浙江师范大学是怎么坑我的 recruit123 2026-09-11 刚刚
[MS] 【求助】金红石结构    ( 1 2 ) (11/1075) 小臭虫 2010-01-04 2010-01-22 14:46:45 by qkzh3091
[Abinit] 【求助】abinit下如何画分态密度图 (5/882) zhygeng511 2009-06-25 2010-01-22 12:09:57 by identation
[MS] 【求助】新手请求指点 7 (1/220) yufengjiayou 2010-01-22 2010-01-22 12:07:59 by identation
[Abinit] 【求助】请问abinit支持例如Ba(Fe0.5Ta0.5)O3体系的建模吗? (6/754) identation 2009-10-16 2010-01-22 12:03:29 by identation
[MS] 【讨论】Raman计算    ( 1 2 ) (评阅+1) (11/1463) yding99 2009-10-16 2010-01-22 09:26:19 by huangyc
[Vasp&Me ] 【求助】谁有LEV00的程序和说明麻烦发我一下啊 (8/865) yq2240711 2009-11-12 2010-01-22 09:05:24 by hchfox
[Vasp&Me ] 【求助】VASP可以实现GPU并行么? (8/1386) fanchen021 2010-01-16 2010-01-21 22:03:26 by fanchen021
[MS] 【求助】dmol3计算Homo (1/240) number1xu 2010-01-21 2010-01-21 20:24:34 by NUPT
[MS] 【求助】torque+MS运行的问题,求教高手 17 (1/322) jdy19862002 2010-01-15 2010-01-21 19:39:04 by hadone
[MS] 【求助】dmol3计算偶极矩 (3/955) number1xu 2010-01-21 2010-01-21 18:40:10 by jghe
[Vasp&Me ] 【求助成功】P4vasp论坛怎么注册? (7/914) cenwanglai 2010-01-15 2010-01-21 17:03:52 by cenwanglai
[MS] 【求助】拜求指点MS中dmol3 (3/553) yufengjiayou 2010-01-21 2010-01-21 16:45:17 by yufengjiayou
[Abinit] 【求助】请问哪位达人能介绍一下在MS下建模,在abinit下计算? (6/1099) wfbgc 2009-03-15 2010-01-21 13:22:20 by davidleeciac
[Wien2k& ] 【求助】怎样把X方向态密度换成Z方向的 (0/173) jiang666lei 2010-01-21 2010-01-21 12:30:19 by jiang666lei
[其他] 【分享】电子结构与分子模拟书籍总汇(80多本) (34/5683) dwma 2009-11-26 2010-01-21 11:31:52 by beyondboyy
[MS] 【求助】结合能的公式    ( 1 2 ) (15/2563) yulifto 2009-10-25 2010-01-21 11:01:41 by beyondboyy
[Vasp&Me ] 【求助】吸附能与电子态密度的关系    ( 1 2 ) (10/3148) jinhuan123 2010-01-05 2010-01-21 10:36:57 by yuyaolun
[MS] 【求助】大团簇的shell是如何定义的,怎么求其半径 (6/1056) lwei7336 2010-01-15 2010-01-21 10:02:38 by lei0736
[MS] 【求助】GGA+U和LDA+U在Materials-studio中如何设置 2 (1/492) lzb11123 2010-01-20 2010-01-21 08:46:19 by chimegreen
[Vasp&Me ] 【求助】掺杂优化 20 (9/1701) xiaojie7783 2010-01-20 2010-01-21 08:23:47 by wangyujia
[其他] 【求助】求教一下有关强关联 19 (1/252) Ilovenewyork 2010-01-20 2010-01-21 03:52:54 by 夕阳西下
[其他] 【转帖】自旋多重度的定义及常用软件设置方法 (0/912) fegg7502 2010-01-21 2010-01-21 01:43:13 by fegg7502
[Vasp&Me ] 【原创】原创工具:CHGCAR转cube (0/1485) neweroica 2010-01-21 2010-01-21 00:13:15 by neweroica
[MS] 【求助】MS中输出文本问题 (6/594) 朙天儿 2010-01-19 2010-01-20 23:08:59 by qasd
[MS] 【讨论】[img][img]论tanloer虫友关于用origin画MS电子密度等高线图之错误与遗漏[/img (评阅+5) (8/2031) wfbgc 2009-12-04 2010-01-20 23:03:52 by kuner
[MS] 【求助】s p d 轨道能量的计算 9 (4/1325) ywyou 2010-01-08 2010-01-20 20:03:56 by stou
[MS] 【求助】晶面间距在ms中能测量出来吗 (7/2437) lwei7336 2010-01-12 2010-01-20 19:57:10 by beyondboyy
[MS] 【求助】Dmol3的计算失败 (2/268) number1xu 2010-01-20 2010-01-20 19:52:09 by chenzhao6239
[MS] 【求助】spin polarized选项的影响 2 (5/871) franch 2010-01-19 2010-01-20 19:51:01 by beyondboyy
[Abinit] 【求助】请问刚下的abinit不能计算和分析怎么回事 (5/656) zhang668 2010-01-19 2010-01-20 19:40:05 by zhang668
[其他] 【其他】“电子结构”第五次讨论 (4/930) wuchenwf 2010-01-15 2010-01-20 19:16:45 by yzcluster
[MS] 【求助】晶体建立的对称性问题 (评阅+1) (5/612) sd5623 2010-01-07 2010-01-20 16:51:48 by guoguo3138
[MS] 【求助】请问N(Ef)是怎么计算出来的? (8/967) ljyang320 2010-01-14 2010-01-20 16:34:47 by guoguo3138
[Vasp&Me ] 【求助】稀土的电子结构研究    ( 1 2 ) 10 (10/2173) xiaojie7783 2010-01-19 2010-01-20 15:24:42 by xbelinda
[Vasp&Me ] 【求助】关于POSCAR 5 (6/1120) xiaojie7783 2010-01-19 2010-01-20 15:11:47 by xbelinda
[Vasp&Me ] 【求助】关于mkl安装 (5/800) zjwangphy 2010-01-19 2010-01-20 15:11:18 by gleerat
[MS] 【求助】如何消除几何优化中的虚频 (7/975) 柯米 2009-03-31 2010-01-20 14:32:47 by linquham
[MS] 【原创】慎用MS5    ( 1 2 ) (评阅+3) (12/1738) dige1863 2010-01-12 2010-01-20 14:15:48 by dige1863
[Abinit] 【讨论】大家来说说精度设为多少合适吧 21 (3/519) liuhuan2017 2010-01-14 2010-01-20 14:11:29 by wenjlu
[其他] 【有奖调查】调查大家计算成功的案例    ( 1 2 3 4 5 6 ) (评阅+5) (54/6393) aylayl08 2009-10-18 2010-01-20 14:07:04 by lwei7336
[MS] 【求助】dmol3算态密度图 (1/236) number1xu 2010-01-20 2010-01-20 13:53:10 by zxzj05
[Vasp&Me ] 【求助】VASP并行计算疑问 (5/834) laplacetalor 2010-01-19 2010-01-20 12:55:13 by ice_rain
[MS] 【求助】MS建碳纳米管遇到的问题 (4/686) yanzi8551 2010-01-18 2010-01-20 12:37:56 by xirainbow
[Vasp&Me ] 【求助】求MedeA (4/629) lucheng336 2009-10-09 2010-01-20 12:25:41 by ice_rain
[MS] 【求助】磁性体系掺杂问题 18 (2/328) 375713000 2010-01-19 2010-01-20 12:08:55 by 375713000
[Vasp&Me ] 【求助】VASP里的杂化泛函 (1/336) dongdong3881 2010-01-20 2010-01-20 10:59:32 by ice_rain
[MS] 【求助】Dmol3计算电荷 (0/179) number1xu 2010-01-20 2010-01-20 10:49:38 by number1xu
[Vasp&Me ] 【求助】关于磁相变点TC的计算 9 (6/1054) luohubin 2010-01-15 2010-01-20 10:45:13 by wo8165827
[MS] 【求助】DMOL3提交任务失败 (0/179) lxrui 2010-01-20 2010-01-20 09:38:53 by lxrui
[其他] 【分享】SUSE-Linux-10.1操作系统 (0/183) linldq 2010-01-20 2010-01-20 09:31:17 by linldq
[MS] 【求助】Materials-studio 运行失败(gateway问题)    ( 1 2 3 ) 1 (20/2681) loovfnd 2010-01-11 2010-01-19 22:51:09 by kuner
[MS] 【求助】求助如何远程控制linux下的运行 (6/662) NUPT 2010-01-09 2010-01-19 22:37:45 by cup.qzu
[MS] 【求助】求助MS模拟计算 1 (5/559) beyondboyy 2010-01-18 2010-01-19 22:00:20 by beyondboyy
[MS] 【讨论】ms的使用问题 (5/655) number1xu 2010-01-12 2010-01-19 21:53:36 by saitou
[Vasp&Me ] 【求助】[求助]band和dos的能隙不一致的原因    ( 1 2 ) (17/2151) mermaid1128 2010-01-14 2010-01-19 21:03:59 by mermaid1128
[MS] 【求助】MS三维模型中显示原子编号 (8/2816) huangliwu84 2010-01-18 2010-01-19 17:50:35 by huangliwu84
[MS] 【求助】添加原子时出现这个提示    ( 1 2 ) (11/1292) 2008210014 2009-12-19 2010-01-19 17:14:54 by yindeqiang
[MS] 【求助】程序的出错答疑,请求帮助 (7/896) xuelian172 2010-01-12 2010-01-19 15:10:52 by xuelian172
[Vasp&Me ] 【求助】怎么我算的Pt(100)的DOS尖峰这么多?    ( 1 2 ) (13/1641) yuyaolun 2010-01-06 2010-01-19 15:06:29 by cbFeng200881
[MS] 【求助】国外易投稿期刊求助 6 (3/987) zhang518 2010-01-19 2010-01-19 14:51:48 by hookah
[MS] 【求助】氮气的键长 (1/286) songzhaotao 2010-01-19 2010-01-19 14:41:17 by hchfox
[Vasp&Me ] 【求助】如何得到准确的布局数 (0/201) sure1027 2010-01-19 2010-01-19 13:16:01 by sure1027
[Vasp&Me ] 【求助】GGA+U时遇到一个问题    ( 1 2 ) (13/2082) wangjiajun 2009-10-24 2010-01-19 10:55:18 by nmgy20
[Vasp&Me ] 【求助】关于GGA+U    ( 1 2 ) (10/2116) xiaojie7783 2009-12-02 2010-01-19 10:44:41 by nmgy20
[Vasp&Me ] 【求助】如何用vasp分析轨道以及做出电荷密度图 4 (7/1593) 爱惜花草 2009-12-11 2010-01-19 10:39:36 by nmgy20
[Vasp&Me ] 【求助】请教LDA+U中的LADUTYPE与ISPIN的关系 10 (2/342) leoaqu 2009-12-31 2010-01-19 10:30:00 by nmgy20
[MS] 【求助】利用MS我想知道... ... 9 (4/1159) tc1788 2009-12-27 2010-01-19 09:07:59 by tc1788
[MS] 【求助】CASTEP中怎样得到带电离子? (5/693) Amay6276 2010-01-14 2010-01-18 22:31:41 by fanchen021
[Siesta& ] 【求助】SiESTA计算态密度问题 (1/302) 昏君 2010-01-18 2010-01-18 20:28:19 by lz830617
[MS] 【求助】ms4.0安装后怎么不能计算    ( 1 2 ) 14 (10/1205) lishufei 2009-12-13 2010-01-18 20:22:03 by beyondboyy
[MS] 【讨论】关于第一原理计算两个问题的说明    ( 1 2 ) (评阅+5) (10/1287) identation 2009-11-17 2010-01-18 20:17:59 by awmc2008
[MS] 【求助】求问晶胞预测停电处理 (0/129) NUPT 2010-01-18 2010-01-18 20:12:16 by NUPT
[MS] 【求助】GGA+U和LDA+U的区别?    ( 1 2 ) (11/1605) zyg3395 2010-01-11 2010-01-18 19:38:57 by liuzhm1980
[Siesta& ] 【求助】已经修改过很多遍,但是算完后表面结构完全扭曲了,请大家看看错误到底在哪里    ( 1 2 ) (12/1063) minmin_0082003 2010-01-18 2010-01-18 19:09:54 by minmin_0082003
[其他] 【求助】请教软件选择 (2/251) zjwangphy 2010-01-16 2010-01-18 15:18:24 by zjwangphy
[MS] 【讨论】关于形成能的计算 (2/391) lljbest 2009-08-05 2010-01-18 14:34:11 by tc1788
[MS] 【讨论】合金的计算问题    ( 1 2 ) (评阅+2) (17/1655) shelay 2009-09-08 2010-01-18 14:07:44 by tc1788
[Vasp&Me ] 【求助】负的磁矩?    ( 1 2 ) (15/1987) 后天一 2010-01-15 2010-01-18 10:14:34 by calos818
[Abinit] 【求助】求助abinit5。8。4安装    ( 1 2 ) (10/964) zxling 2009-11-19 2010-01-18 09:59:40 by yjh9160
[MS] 【求助】希望您能给点意见! (2/215) beyondboyy 2010-01-18 2010-01-18 09:52:04 by beyondboyy
[其他] 【求助】请教一个超共轭的问题. (0/199) lg1976727 2010-01-18 2010-01-18 09:12:06 by lg1976727
[MS] 【求助】建模型 (4/505) handanfxp 2010-01-15 2010-01-18 05:02:47 by cel0303
[Siesta& ] 【求助】碳纳米管的管径 4 (0/211) yanzi8551 2010-01-17 2010-01-17 22:19:16 by yanzi8551
[MS] 【求助】MS能算导电性吗?    ( 1 2 ) (10/1108) yijia_ctgu 2010-01-16 2010-01-17 20:43:23 by xbelinda
[其他] 【讨论】“电子结构”第四次讨论    ( 1 2 ) (15/1582) wuchenwf 2010-01-08 2010-01-17 20:04:34 by carlaty
[MS] 【求助】vista操作系统能运行materials studios 么 (9/1042) yyy801013 2010-01-15 2010-01-17 19:49:41 by wgwcumt
[MS] 【求助】ms4.3运行问题 (3/454) imunbg 2010-01-16 2010-01-17 19:08:12 by allawwp
[MS] 【求助】求助:服务器运行一段时间之后gateway就自动断了是什么原因? 15 (1/240) pengge 2010-01-17 2010-01-17 18:57:35 by gongjijun
[MS] 【求助】MS4.4安装三个星期后出现仅可用6天的提示 (5/558) mqp 2010-01-14 2010-01-17 18:27:38 by wangzg9292
[Vasp&Me ] 【求助】LDA+U 出错信息(已解决) (4/1926) sandwraith 2010-01-16 2010-01-17 13:39:43 by sandwraith
[Vasp&Me ] 【求助】VASP计算光学性质例子 10 (1/498) zhygeng511 2010-01-17 2010-01-17 11:25:29 by zhygeng511
[MS] 【求助】如何构建合金晶胞?    ( 1 2 ) (12/1225) xiaowandouer 2009-11-02 2010-01-17 11:20:11 by tc1788
[MS] 【求助】过渡态计算 1 (6/1164) meimeinn 2009-10-08 2010-01-17 10:20:05 by beyondboyy
[MS] 【分享】关于弹性模量的一些概念 (27/5373) xczhou2008 2009-06-10 2010-01-17 10:06:27 by maomaotu9315
[Vasp&Me ] 【求助】如何用vasp求固体和原子化学势 4 (4/697) ddang100 2010-01-16 2010-01-17 09:49:09 by ddang100
[MS] 【求助】dmol3算频率 (4/446) number1xu 2010-01-16 2010-01-17 09:35:44 by number1xu
[MS] 【求助】水溶液的模型构建 3 (1/199) 77585218358 2010-01-17 2010-01-17 09:26:24 by qasd
[MS] 【原创】寻求同道中人 (金币≥10)(0/46) beyondboyy 2010-01-16 2010-01-16 21:33:25 by beyondboyy
[MS] 【求助】Linux服务器上可以安装两个版本的MS吗? (2/259) jdy19862002 2010-01-16 2010-01-16 20:27:10 by jdy19862002
[其他] 【其他】弱问一下 电子结构讨论用的是哪本书 (2/355) njuxyh 2010-01-16 2010-01-16 17:37:16 by njuxyh
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