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[热点] 博士申请都是内定的吗? 青海清 2025-12-15 刚刚
[MS] [已完结]MS用cif文件建模的问题 (3/1093) 大堂9999 2013-04-25 2013-05-02 19:36:50 by 磊俊陈
[MS] [已完结]ms打开一会就 停止工作!!!    ( 1 2 ) (15/2398) xiaonei_wc 2011-05-20 2013-05-02 19:23:47 by wuji11
[Vasp&Me ] [已完结][关贴]关于候老师产生K点的小程序,哪里可以找到使用说明? (1/492) wkfan8988 2013-05-02 2013-05-02 15:07:29 by 阚敏
[MS] [已完结]怎样计算0.5eV处平带在Γ点的分子轨道分布图(DMol3,石墨烯纳米带) (5/1220) seuzzj 2013-04-28 2013-05-02 14:46:57 by k_now
[Wien2k& ] [已完结]Wien2k算纳米面是k点的设置问题 (1/470) 苦行客 2012-11-01 2013-05-02 13:59:45 by wuli8
[其他] [已完结][关贴]透射谱,极化电荷密度图如何分析 (0/593) dagewane63 2013-05-02 2013-05-02 13:57:56 by dagewane63
[Vasp&Me ] [已完结]求助能分开f电子的split-dos? (0/228) zhouyj999 2013-05-02 2013-05-02 12:23:08 by zhouyj999
[Siesta& ] [已完结]Cu的赝势测定 (6/900) ylzhao 2013-04-29 2013-05-02 09:28:51 by KalaShayminS
[MS] [已完结]D023-TiAl3的原子坐标 (0/463) meimeidyh 2013-05-02 2013-05-02 08:20:32 by meimeidyh
[Vasp&Me ] [已完结]请教FeO超胞收敛问题 (4/1024) hypnos 2013-03-06 2013-05-02 03:24:54 by identation
[MS] [已完结]大家帮忙看一下我们实验室计算用的服务器 (0/2056) 大堂9999 2013-05-01 2013-05-01 17:24:42 by 大堂9999
[MS] [已完结]求助Morphology版块问题 (1/380) ouyang1001 2013-01-05 2013-05-01 16:37:57 by zy54382
[MS] [已完结]求助MS中分子的画图问题 (7/1125) anmin0127 2013-04-30 2013-05-01 16:10:02 by anmin0127
[Siesta& ] [已完结]有很很小的带隙而透射谱却不为零,如图! (0/325) dagewane63 2013-05-01 2013-05-01 15:31:25 by dagewane63
[MS] [已完结]差分密度分析? (0/601) 444239852 2013-05-01 2013-05-01 14:40:15 by 444239852
[MS] [已完结]matlab编程 (1/740) baohutian 2013-04-30 2013-05-01 10:57:39 by tianyaba
[QE(Pwsc ] [已完结]电声耦合常数在什么范围内算弱耦合、中等耦合、强耦合? (1/1771) Local_Spin 2013-04-30 2013-05-01 10:57:01 by tianyaba
[热点前沿 ] [已完结]DMOL3做分子吸附    ( 1 2 ) (10/1962) cruade2010 2013-04-28 2013-05-01 10:41:37 by xyzzz986
[MS] [已完结]MS模拟求助。。急求。。    ( 1 2 ) (17/1545) xiaoji134679 2013-04-10 2013-05-01 09:03:09 by xiaoji134679
[热点前沿 ] [已完结]做材料用作气体的分离或者提纯 (0/226) vasp001 2013-04-30 2013-04-30 23:37:39 by vasp001
[MS] [已完结]请高手指点下分析MS计算的能带图、态密度图、光学性质。有参考书吗,小虫很迷茫。 (8/1706) hanyanxiao89 2012-08-22 2013-04-30 14:27:10 by lifenchang
[Vasp&Me ] [已完结]ELF计算BiFeO3孤对电子的问题    ( 1 2 ) (10/2088) byin 2012-05-21 2013-04-30 07:39:44 by future_wl
[Vasp&Me ] [已完结]石墨烯原胞与超晶胞能带为什么不同 (1/1965) 要坚强 2013-04-26 2013-04-30 00:22:40 by nandagulou
[其他] [已完结]xcryden画图问题 (1/995) endeavor2 2013-04-26 2013-04-30 00:19:17 by nandagulou
[QE(Pwsc ] [已完结]求助pwscf计算LDA+U,LDA+SO,LDA+U+SO,LSDA+U,LSDA+U,LSDA+U+SO的设置 (0/683) nandagulou 2013-04-29 2013-04-29 23:13:01 by nandagulou
[Siesta& ] [已完结]求助siesta收敛问题 (3/952) yangxuezhang 2013-03-14 2013-04-29 21:42:19 by lu_wei07
[MS] [已完结]我的MS里没有Fe3O4的晶胞,不知道谁有啊,能否给发一个? (3/866) niuxiaoqi721 2013-04-28 2013-04-29 17:23:51 by 小芝芝
[MS] [已完结]求ssh的下载链接和安装使用教程 (2/361) 大堂9999 2013-04-29 2013-04-29 16:36:08 by 大堂9999
[Vasp&Me ] [已完结]bader分析 (3/936) xiaoluoj 2013-03-20 2013-04-29 10:21:19 by KalaShayminS
[热点前沿 ] [专家] [已完结]非gamma点处的虚频意味着什么?    ( 1 2 ) (14/3096) dxcharlary 2011-05-30 2013-04-29 02:08:48 by identation
[MS] [已完结]MS 6.0中有关gateway server register (5/978) 学员LTJlPo 2013-04-28 2013-04-28 21:50:26 by qingfengyi
[Vasp&Me ] [已完结]结合能与化学势求教 (7/748) lzlgcdc 2013-04-26 2013-04-28 19:40:46 by lzlgcdc
[热点前沿 ] [已完结]共价有机骨架如何建模 (0/456) 378287892 2013-04-28 2013-04-28 16:18:50 by 378287892
[Vasp&Me ] [已完结]用VASP 计算LO-TO splitting    ( 1 2 ) (12/2486) fliablepig 2012-03-29 2013-04-28 15:38:21 by WDD880227
[热点前沿 ] [已完结]含N原子化合物生成焓的计算 (0/425) janet2012222 2013-04-28 2013-04-28 12:48:47 by janet2012222
[Vasp&Me ] [已完结]怎么计算vasp优化结果的β电荷? (2/385) lobster500 2013-04-26 2013-04-28 10:56:20 by 171713294
[MS] [已完结]帮我看一下:做光电纳米材料计算这个硬件配置行不行? (1/518) wulindong 2013-04-26 2013-04-28 10:26:57 by 小红豆
[MS] [已完结]DMOL3中频率计算问题 (3/1672) a94259425 2013-04-27 2013-04-28 10:22:51 by 书万里
[Vasp&Me ] [已完结]如何处理layer结构的晶体? (0/231) pariah 2013-04-28 2013-04-28 10:13:41 by pariah
[MS] [已完结]表面的氧化性计算 (0/460) differe 2013-04-28 2013-04-28 09:48:16 by differe
[热点前沿 ] [已完结]关于金属离子与有机物聚合(配合)的分析 (0/667) anmin0127 2013-04-28 2013-04-28 01:14:53 by anmin0127
[MS] [已完结]CASTEP 处理静电势图 (4/2481) 李佳佳佳 2013-03-13 2013-04-27 19:51:54 by 李佳佳佳
[Vasp&Me ] [已完结]VASP如何计算磁电系数? (7/967) donggaomin 2012-10-19 2013-04-27 13:10:09 by 幻灭牙
[Siesta& ] [已完结]ATK 两极计算自洽不收敛 (0/519) njuxyh 2013-04-27 2013-04-27 10:41:47 by njuxyh
[MS] [已完结]怎么移动原胞中的原子 (7/3678) aisinia 2013-04-22 2013-04-27 10:02:59 by ytudou
[MS] [已完结][关贴]求MS安装过程中需要的temporary license password (5/3305) ytudou 2013-04-06 2013-04-27 09:54:48 by ytudou
[Vasp&Me ] [已完结]vesta做电荷密度差分方法分析 (0/880) mitong 2013-04-27 2013-04-27 09:50:55 by mitong
[Vasp&Me ] [已完结]vasp说明书 (1/278) lbing9002 2013-04-22 2013-04-27 08:51:03 by lbing9002
[Vasp&Me ] [已完结]VASP如何加电场计算 (5/2079) fengnan127 2013-04-11 2013-04-26 21:09:05 by fengnan127
[Vasp&Me ] [已完结]VASP并行失败,求助! (0/666) 舞昂琦VoVo 2013-04-26 2013-04-26 18:56:18 by 舞昂琦VoVo
[MS] [已完结]高手帮忙!!急啊 (0/333) zhywind200 2013-04-26 2013-04-26 16:46:37 by zhywind200
[Vasp&Me ] [已完结]新手求助VASP导出坐标的问题 (0/284) shiyd05 2013-04-26 2013-04-26 15:09:42 by shiyd05
[MS] [已完结]Dmol能否单独设置电荷? (0/197) aaq2800 2013-04-26 2013-04-26 14:57:44 by aaq2800
[MS] [已完结]【求助】 DMOL3中关于自旋多重度的设置 (1/1469) zzlthrive 2012-04-23 2013-04-26 14:10:45 by kcy87123777
[Vasp&Me ] [已完结]xcrysden画费米面怎么显示坐标轴 (3/1401) 花无刺 2013-04-25 2013-04-26 12:28:26 by 刘仕晨
[MS] [已完结]电荷密度分析 (7/1134) youziyouzi 2013-04-25 2013-04-26 09:00:22 by fds329
[MS] [已完结]有没有人做掺杂TiO2的第一性原理计算的 (7/1378) 飘在空中的雨 2011-05-06 2013-04-26 06:41:49 by xingweiqiang
[Vasp&Me ] [已完结]vasp 能否考虑海森伯交换作用呢? (1/1274) 真情无价108 2013-04-20 2013-04-26 03:27:30 by identation
[MS] [已完结]急求:多重度用什么字母表示 (0/904) kcy87123777 2013-04-25 2013-04-25 22:36:08 by kcy87123777
[MS] [已完结]Integrated Spin Density磁矩计算合理性 (0/572) nsqhmily 2013-04-25 2013-04-25 20:13:21 by nsqhmily
[MS] [已完结]CASTEP算声子太慢,怎么办 (2/855) zhuzhudgyg 2012-11-24 2013-04-25 20:03:20 by kervinzhao
[其他] [已完结]带隙测量 (0/451) heechao 2013-04-25 2013-04-25 19:36:11 by heechao
[Vasp&Me ] [已完结]静态计算 (4/322) lzlgcdc 2013-04-24 2013-04-25 18:58:52 by lzlgcdc
[热点前沿 ] [已完结]相干势近似方法能算声子谱么? (1/828) deRien 2013-04-25 2013-04-25 17:48:59 by DFPT
[MS] [已完结]MS中计算氨基酸的晶格能 (0/637) 珊珊83 2013-04-25 2013-04-25 16:14:13 by 珊珊83
[Siesta& ] [已完结]siesta3.1 64位并行怎么编译安装?求高手指导~ (2/556) 云端星雨 2013-04-23 2013-04-25 16:11:57 by KalaShayminS
[Abinit] [已完结]加压优化后能量更高????。。。。 (5/985) 若博特 2013-04-18 2013-04-25 15:01:50 by yinwei_li
[MS] [已完结]MS的Dmol计算中的DIIS size 到底是什么意思? (1/2215) kcy87123777 2013-04-21 2013-04-25 14:08:23 by chensxxy
[MS] [已完结]用cif文件导入到MS建的模是单胞吗? (6/2831) 大堂9999 2013-04-24 2013-04-25 13:53:17 by differe
[Vasp&Me ] [已完结]化学势问题 (5/763) lzlgcdc 2013-04-24 2013-04-25 13:39:21 by lzlgcdc
[资源] [已完结]【求助】VASP计算bcc铁的能带,不知和哪篇文献核对能带图 (4/847) hohoo居 2013-04-17 2013-04-25 12:23:28 by kervinzhao
[MS] [已完结]ms中rattle (0/365) qingdong1990 2013-04-25 2013-04-25 10:51:34 by qingdong1990
[MS] [已完结]xcd文件 (0/654) tangjie1989 2013-04-25 2013-04-25 10:14:33 by tangjie1989
[MS] [已完结]超胞能量计算问题 (8/1187) 傻孩阿布 2013-04-17 2013-04-25 08:50:25 by 傻孩阿布
[热点前沿 ] [已完结]各种结构(比如六方、四方)的弹性性质(G、B、v等)计算的书!求推荐 (1/438) si_lian 2013-04-18 2013-04-25 08:04:36 by kervinzhao
[MS] [已完结]关于钢中马氏体的晶格结构 (5/2584) 杨健yangjian 2013-04-10 2013-04-25 00:21:40 by 杨健yangjian
[Vasp&Me ] [已完结]恳求各位前辈的帮助和指点! (1/484) wangchenju 2013-04-21 2013-04-24 20:28:13 by chuanghua304
[Vasp&Me ] [已完结]【求助】石墨烯掺杂charge transfer的理解 (1/419) conperint 2013-04-24 2013-04-24 20:02:02 by conperint
[Vasp&Me ] [已完结]石墨烯来量子点运行出问题 (1/647) liaoshime 2013-04-23 2013-04-24 18:20:53 by liaoshime
[QE(Pwsc ] [已完结]刚接触QE。做了石墨烯的能带和态密度,不是是否正确,求各位鉴定下    ( 1 2 ) (19/2072) 异域神迹 2013-04-17 2013-04-24 16:23:04 by gemucai
[Siesta& ] [已完结]siesta关于偏态密度的问题 (0/447) yangxuezhang 2013-04-24 2013-04-24 16:10:59 by yangxuezhang
[Vasp&Me ] [已完结]请教大家vasp一问题 (2/500) lhcl 2012-07-11 2013-04-24 15:19:30 by wl7171759
[Vasp&Me ] [已完结]K点测试和encut 求教 (9/1140) lzlgcdc 2013-04-19 2013-04-24 15:13:04 by lzlgcdc
[Vasp&Me ] [已完结]体系吸附单个原子,吸附能的计算,单个原子能量的计算要不要加ISPIN=2? (4/2251) Gina88 2013-03-01 2013-04-24 14:44:10 by dazao
[MS] [已完结]周期性结果,真空层厚度怎么设置 (0/912) USTC_STM 2013-04-24 2013-04-24 13:34:22 by USTC_STM
[MS] [已完结]如何判断掺杂类型 (2/1642) youziyouzi 2013-04-23 2013-04-24 09:11:14 by youziyouzi
[MS] [已完结]MS如何画甲醇 (6/1160) yahuifxlei 2013-04-22 2013-04-24 08:29:43 by 吕洁丽霞
[Vasp&Me ] [已完结]VASP运行出错 大牛进来啊 啊啊啊 (4/733) 兜兜有颗糖 2013-04-19 2013-04-24 08:00:20 by chuanghua304
[MS] [已完结]过渡态吸附研究 (2/544) xlcwl04037105 2013-04-22 2013-04-23 23:31:32 by xlcwl04037105
[Vasp&Me ] [已完结]关于超级计算机和VASP    ( 1 2 ) (13/2275) c03185 2012-03-27 2013-04-23 19:51:43 by fengangelo
[其他] [已完结]红外操作与分析 (2/454) 21128088 2013-04-22 2013-04-23 19:13:19 by 21128088
[MS] [已完结]四方和立方晶格如何有效建立界面?如何计算两者的匹配度? (7/2008) aaa我来嘞 2013-04-17 2013-04-23 19:03:18 by aaa我来嘞
[其他] [已完结]Dzyaloshinskii − Moriya (6/991) 苦咖啡酸苹果 2013-04-21 2013-04-23 18:30:28 by wangww2011
[MS] [已完结]MS出现问题,请大家帮忙了 (3/484) yaoxin1 2013-04-22 2013-04-23 18:01:31 by 神秘_EF
[其他] [已完结]N 掺杂SnO2第一原理计算遇到的问题 (3/590) 我是qiye 2013-04-20 2013-04-23 17:58:45 by 神秘_EF
[Vasp&Me ] [已完结]磁矩计算咨询 (0/658) zsh145 2013-04-23 2013-04-23 16:25:00 by zsh145
[MS] [已完结]送红花N朵!MS怎么得出差分电荷密度图! (5/2766) anlen0615 2012-09-20 2013-04-23 16:11:42 by winnersu
[MS] [已完结]用CASTEP计算合金缺陷能 (1/405) mranbo 2013-02-24 2013-04-23 15:52:53 by youziyouzi
[Vasp&Me ] [已完结]这种情况下,WAVECAR被读入了吗? (0/263) wkfan8988 2013-04-23 2013-04-23 15:38:34 by wkfan8988
[MS] [已完结]电子差分密度作图 (2/476) 只开一次的竹 2013-04-16 2013-04-23 15:29:47 by youziyouzi
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