24小时热门版块排行榜    

北京石油化工学院2026年研究生招生接收调剂公告

管理团队 (金币库 94088.1 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

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] 材料求调剂 .m.. 2026-03-31 刚刚
[MS] MS中原子配对时,提示不能配对,这是为什么? (1/529) 026li 2012-05-08 2012-05-08 12:37:12 by 剑魄诗魂
[热点前沿 ] DFT相关名词之咬文嚼字    ( 1 2 ) (1ST强帖+1)(14/2674) uuv2010 2012-05-02 2012-05-07 20:38:46 by huihua123
[其他] Computational Oxide Spintronics Meeting (评阅+10) (3/384) wbt11129 2012-05-07 2012-05-07 20:09:17 by veryman
[MS] 【求助】CASTEP计算出现问题 (2/532) dickli2008 2010-11-03 2012-05-07 13:03:15 by mmhan
[其他] 【求助】偶极矩的计算方法    ( 1 2 ) (10/2170) lyflvy1986 2010-11-01 2012-05-07 06:30:12 by wky2011
[资源] Science_Challenges in Modeling Materials Properties Without Experimental Input (9/1808) fzx2008 2012-04-27 2012-05-07 06:15:30 by Quan.
[QE(Pwsc ] 【求助成功】PWSCF计算x射线谱    ( 1 2 ) (12/1861) 子虚乌有5388 2010-03-15 2012-05-07 01:24:46 by tangosnow
[其他] 我回来了,哈哈    ( 1 2 3 ) (评阅+2) (22/1296) bingmou 2012-05-05 2012-05-06 21:24:04 by tangosnow
[MS] 周期性体系中的缺陷赋电荷问题 (5/1312) silikiwi 2012-05-06 2012-05-06 15:49:32 by yangshen2011
[MS] 关于弹性常数对应的轴向 (8/2826) hwceng0816 2012-03-28 2012-05-06 11:44:18 by rex881026
[其他] [关贴]挂章一枚,散金币188    ( 1 2 ) (70/2061) fzx2008 2012-05-05 2012-05-05 23:22:05 by yuezhonghui
[热点前沿 ] vasp的CHGCAR与Bader电荷有什么异同 (0/366) lgxyz 2012-05-05 2012-05-05 22:02:34 by lgxyz
[MS] 求助 用于MS中CASTEP计算的配置 (评阅-5) (8/1679) hwceng0816 2012-05-01 2012-05-05 08:31:59 by hwceng0816
[Abinit] 【求助】linux下怎么安装 abinit 软件? (8/1737) frank_zhan 2010-10-02 2012-05-05 06:01:23 by fengshiquan
[MS] MS几何优化 (8/1867) mengchouchou 2012-03-07 2012-05-04 22:27:52 by dq20081935
[Vasp&Me ] Ubuntu 12.04 下 FFTW 安装 (评阅+2) (5/1542) qlm2008 2012-04-30 2012-05-04 14:08:35 by dxf_dxf_dxf
[MS] 小弟准备购买一台计算工作站,构建Windows客户端+Linux服务器进行MS计算 (10/2821) seawolf2100 2012-04-21 2012-05-04 09:53:06 by 胡斌_bean
[Abinit] 超晶包 矩阵选取 (0/261) mao_benben 2012-05-04 2012-05-04 09:16:03 by mao_benben
[MS] 【求助】MS5.0 安装时发现要密码,在哪找 (5/776) stonezhoujun 2010-09-04 2012-05-04 08:54:32 by zzy870720z
[Vasp&Me ] [关贴]关于TiO2掺杂DOS图的问题 (12/2696) 初学者vasp 2012-04-30 2012-05-04 08:44:37 by rxd337
[MS] MS运行不了任务 (1/412) 易沁桦 2012-05-03 2012-05-03 20:46:49 by dq20081935
[MS] 大家把MS所发的文章共享一下啊 (2/355) honglingli 2012-05-03 2012-05-03 20:36:42 by dq20081935
[Vasp&Me ] 关于VASP中ISIF取值的理解 (2/4304) forestwolf9291 2012-04-28 2012-05-03 19:09:52 by dxf_dxf_dxf
[其他] 纳米线超晶胞的体积应该怎么计算呢? (1/370) 黯焰 2012-04-28 2012-05-03 16:27:25 by 黯焰
[MS] 广义层错能计算探讨 (6/1905) hwceng0816 2012-02-11 2012-05-03 13:55:08 by 零下n度
[MS] 建议版主每个月搞个活动 达人秀上榜的可以获得额外金币 (1/261) hwceng0816 2012-05-02 2012-05-02 22:17:16 by fzx2008
[其他] 多核和应用性能的关系 (评阅+5) (6/1653) zouming1979 2012-05-01 2012-05-02 18:06:24 by awmc2008
[Vasp&Me ] VASP vibration normal mode 可视化 (1/1000) sexyrickysky 2012-05-01 2012-05-02 15:08:41 by iamikaruk
[MS] 求解一个关于Dmol3 进行MD计算的小问题 (16/2433) skkuwei 2012-03-30 2012-05-02 13:29:00 by lq6865387
[Siesta& ] 【求助】siesta 可以计算raman 光谱吗,或者raman强度 (8/1547) minmin_0082003 2011-03-11 2012-05-02 13:02:54 by fengshiquan
[MS] 求助 第一性原理文章中的泊松比疑问 (评阅-5) (8/962) hwceng0816 2012-04-29 2012-05-01 21:47:18 by hwceng0816
[MS] castep的set-up设置中energy和properties的区别 (1/1818) Zpffpz 2012-04-30 2012-04-30 23:32:55 by userhung
[版务] [关贴]2012年四月份值日报道帖    ( 1 2 3 ) (评阅+5) (24/1175) 贺仪 2012-04-01 2012-04-30 21:32:05 by franch
[热点前沿 ] 再次请教关于什么是根3×根3R30°结构 (11/2788) zhangguangping 2011-09-19 2012-04-30 09:48:32 by zhangguangping
[MS] 单壁碳纳米管的声子谱计算问题 (13/1351) frank_zhan 2012-04-27 2012-04-29 22:48:30 by lq6865387
[MS] 【求助】能带图有空白间隔怎么办 (5/822) 墨客 2011-04-09 2012-04-29 20:02:41 by lq6865387
[MS] 【讨论】交流下使用Materials-studio的经验吧    ( 1 2 ) (12/1567) 薛金祥 2010-04-24 2012-04-29 19:24:19 by lq6865387
[MS] 【求助】(100)面和(200)面是同一个面么?    ( 1 2 ) (10/4783) fanchen021 2010-03-08 2012-04-29 19:22:34 by lq6865387
[MS] 【求助】castep 里边每一个参数代表什么意义怎么找 (9/1031) btvipvip 2010-04-27 2012-04-29 19:20:36 by lq6865387
[MS] 今天计算发现了一些问题,几何成功就一定收敛了吗? (6/1976) hwceng0816 2012-03-14 2012-04-29 19:03:52 by lq6865387
[MS] CASTEP参数 (3/366) hwceng0816 2012-03-22 2012-04-29 19:02:57 by lq6865387
[MS] CASTEP 英文翻译 (3/362) hwceng0816 2012-03-20 2012-04-29 19:02:37 by lq6865387
[MS] materials studio 软件 (5/1417) myskycn 2012-04-26 2012-04-29 18:54:35 by lq6865387
[MS] CASTEP弹性常数计算 和截断能 K点有关吗 (1/1245) hwceng0816 2012-04-14 2012-04-29 18:37:28 by lq6865387
[MS] castep优化问题 (5/1270) xk6891 2012-03-31 2012-04-29 18:21:58 by lq6865387
[MS] castep 结构优化 (3/1215) lei0819 2012-03-23 2012-04-29 18:10:18 by lq6865387
[MS] 几何优化后体积变大可以从哪里去考虑?    ( 1 2 ) (10/1417) hwceng0816 2012-03-14 2012-04-29 17:26:47 by lq6865387
[其他] 怎样写高水平文章 (1/416) xylz6188 2012-03-16 2012-04-29 17:19:22 by lq6865387
[MS] 【求助】请教一下CASTEP四个输出量之间的关系 (8/1011) currentyoungman 2011-04-02 2012-04-29 15:06:08 by lq6865387
[MS] 【求助】关于castep-结构优化-收敛    ( 1 2 ) (12/2112) dongdong33 2011-03-01 2012-04-29 14:52:16 by lq6865387
[MS] 弹性常数计算出现诡异。。。。来看看喽 (5/1991) amadsummer 2012-02-29 2012-04-29 12:23:50 by skyzhangy
[MS] 弹性常数计算出现诡异,好似一部科幻片,过来看下。 (8/1677) hwceng0816 2012-02-29 2012-04-29 12:18:42 by fzx2008
[MS] 【求助】dmol跑动力学 (7/1026) xiaoboy185 2010-07-01 2012-04-29 12:12:00 by goldenfisher
[其他] 声子谱 (8/2247) rex881026 2012-03-05 2012-04-29 11:56:03 by lq6865387
[Vasp&Me ] 【求助】用vasp跑TS的设置,大家看看有什么问题吗?跑了五天了,没结束!着急! (18/2401) piaoxue001 2011-03-23 2012-04-29 08:26:17 by 04nylxb
[MS] 【求助】MS怎么计算吸附能 (12/3197) sunzhiguo 2010-12-08 2012-04-29 06:53:58 by flymice
[其他] 征人同做周公度《结构化学》第二版第六章习题。 (16/1555) cenwanglai 2012-04-22 2012-04-28 16:09:14 by cenwanglai
[其他] 求问大家看文献一般看些什么呢? (2/406) 米小年 2012-04-25 2012-04-28 09:02:05 by wangziyan3
[其他] 发个牢骚-文章被拒 (14/1709) huijiany 2012-04-27 2012-04-28 08:43:29 by huangzc
[Vasp&Me ] 画VASP计算的原子结构图的一个方法(自己瞎想的,如和他人方法雷同请见谅) (评阅+2) (4/2231) huangll99 2012-04-26 2012-04-27 09:40:02 by qianbj2006
[热点前沿 ] 同样的大小的超晶包 矩阵选取不一样 能量一样吗? (0/444) mao_benben 2012-04-26 2012-04-26 20:13:53 by mao_benben
[MS] 关于CASTEP (3/442) hwceng0816 2012-04-09 2012-04-26 15:47:47 by hwceng0816
[Vasp&Me ] [关贴]vasp寻找对称性错误怎么办? (1/1529) nkleof 2012-04-26 2012-04-26 09:30:51 by nkleof
[Vasp&Me ] MoO2与LiMoO2 DOS (0/315) jixiao0526 2012-04-26 2012-04-26 00:35:07 by jixiao0526
[Siesta& ] atk12.2.rc1时间过期好像不能通过修改系统时间解决 (3/842) guohuazhong 2012-04-25 2012-04-25 22:55:14 by zhangguangping
[MS] 关于MS计算h2的渗透 (0/204) 步步高升步步 2012-04-25 2012-04-25 22:09:49 by 步步高升步步
[Siesta& ] 【求助】请教电极能带在输运中的作用以及与透射谱的关系 (9/1977) zhangguangping 2010-09-15 2012-04-25 21:01:51 by zhangguangping
[MS] 【求助】哪位大侠用过onetep优化结构? (8/1116) bhcsmay 2010-05-21 2012-04-25 13:05:51 by whl0318
[其他] 听说有的人跑vasp用数千核并行,求真相    ( 1 2 3 ) (24/2619) cenwanglai 2012-04-24 2012-04-25 11:05:49 by chenyuchen
[Vasp&Me ] 怎样用vesta画电荷密度 (1/594) jixiao0526 2012-04-24 2012-04-24 21:34:01 by ApolloYang
[MS] [关贴]关于熔点和结合能的关系 (评阅-5) (4/1347) hwceng0816 2012-04-24 2012-04-24 14:57:50 by zzy870720z
[Siesta& ] Transiesta error:wrong solution method 解决办法 (5/1104) guohuazhong 2012-04-22 2012-04-24 11:14:27 by zhangguangping
[MS] Castep计算弹性参数太慢了,是否可以单独只计算需要的参数,如C11、C33 (3/1229) seawolf2100 2012-04-23 2012-04-24 09:01:19 by guohuazhong
[MS] 求助 关于CASTEP几何优化能量与结构稳定性的探讨 (评阅-5) (1/658) hwceng0816 2012-04-19 2012-04-24 09:01:10 by future_wl
[Vasp&Me ] 【求助】200金币求可用的vasp (7/1114) mengfc 2011-04-08 2012-04-24 05:58:33 by qlm2001
[Siesta& ] 【求助】siesta如何让固定衬底? (9/2544) minmin_0082003 2010-01-19 2012-04-23 19:30:13 by 北极苍狼
[Vasp&Me ] 【求助】关于稀土元素的4f轨道    ( 1 2 ) (15/3528) 含草 2010-09-09 2012-04-23 13:03:21 by Jack船长
[MS] 【求助】如何构建单层石墨烯 (6/2535) jinzhulin000 2011-03-11 2012-04-23 12:22:26 by flymice
[MS] 【求助】关于能带结构图 (4/847) fagege2010 2011-04-13 2012-04-23 07:47:58 by May_lin
[Vasp&Me ] 稀磁半导体的计算 (3/426) zhilanga 2012-04-17 2012-04-22 23:40:07 by zhilanga
[MS] MS 5.5 for Linux (7/1532) monolayer 2012-03-12 2012-04-22 21:03:29 by 偏爱偶数
[Vasp&Me ] PRB一篇文章的关于价电子移动计算过渡态的问题 (2/682) wujing110 2012-04-20 2012-04-21 16:47:53 by wujing110
[其他] goldenfisher同学倾情奉献分享科研经历    ( 1 2 ) (10/1033) cenwanglai 2012-04-19 2012-04-21 16:34:25 by souledge
[其他] 【求助成功】编译lev00出错 (11/2214) sunyang1988 2010-12-25 2012-04-21 10:39:01 by wangzg9292
[MS] 【求助】cohesive energy如何用CASTEP计算    ( 1 2 ) (17/2084) wzh上善若水 2010-07-10 2012-04-20 13:22:53 by hwceng0816
[其他] 是不是可以搞个graphene和光解水的板块分类啊? (2/502) HSE06 2012-03-09 2012-04-20 00:06:28 by youzhizhe
[MS] 英文论文投稿 (2/364) mengchouchou 2012-04-19 2012-04-19 19:14:22 by huangll99
[MS] 【求助】请教一下Dmol3不能计算了 (6/1208) 蜀中山鹰 2011-03-17 2012-04-19 18:54:03 by pfabc0826
[MS] ms计算出错!!! (1/560) nybz1986lizi 2011-05-13 2012-04-19 18:39:40 by pfabc0826
[MS] 我们国家是否存在专业做就算的中心?第一性原理计算    ( 1 2 ) (评阅-20) (14/1487) hwceng0816 2012-04-15 2012-04-19 15:20:19 by l_ripple
[热点前沿 ] 石墨烯为什么有可饱和吸收特性 (1/1638) tequila2008 2012-04-19 2012-04-19 15:10:16 by uuv2010
[Vasp&Me ] vasp计算团簇 (13/2498) 171713294 2012-04-17 2012-04-18 21:53:57 by 奋力拼搏
[Vasp&Me ] vasp关键词讲解 (3/1095) 盼望蓝色梦幻 2012-04-17 2012-04-18 21:17:15 by 小雨熊
[Vasp&Me ] 怎么看电子收敛 (3/1419) liuqun 2012-04-15 2012-04-18 17:09:06 by liuqun
[其他] (文献分享)vasp计算chemistry of materials 文章一篇(5页),对O2p加了U. (0/334) cenwanglai 2012-04-18 2012-04-18 15:06:45 by cenwanglai
[热点前沿 ] 人气发布一个背景的学术交流活动,北京的同学可以来参加啊 (1/984) rainvs 2012-04-18 2012-04-18 12:08:56 by ustc
[MS] Castep计算弹性参数是不是很慢? (10/2181) seawolf2100 2012-04-17 2012-04-18 10:02:16 by seawolf2100
[MS] 【求助】谁有关于界面的建立的讲义,麻烦给一下 (2/365) dare 2010-11-17 2012-04-18 06:39:23 by gougou531
[MS] 高压相变 (4/1016) shui449 2012-04-16 2012-04-17 21:13:34 by 06022043
相关版块跳转
查看