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[热点] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 0pYnUiPDfdnk 2026-09-17 刚刚
[其他] 投票:  【其他】第一性原理版块需要女版主吗?[活动结束] (40/2980) cenwanglai 2010-11-26 2011-01-12 15:48:34 by hbcsucy
[热点前沿 ] 【求助】请问一个DFT的基础问题 (0/329) zsjan 2011-01-12 2011-01-12 15:20:27 by zsjan
[Wien2k& ] 【求助】关于画态密度遇到的问题?? (1/597) hanyanli0475 2011-01-11 2011-01-12 13:17:17 by anin
[MS] 【求助】如何用Dmol3计算金属表面能?? (0/420) clszxh02 2011-01-12 2011-01-12 13:12:16 by clszxh02
[Vasp&Me ] 【求助】OUTCAR中有关K点内容的理解 (4/1464) ustbwgs 2011-01-10 2011-01-12 11:11:08 by yzhang2010
[MS] 【求助】计算小分子表面吸附问题!谢谢 (6/1295) jdy19862002 2011-01-04 2011-01-12 09:46:39 by xfy0423
[Vasp&Me ] 【求助】VASP计算结构处理工具 (3/901) enola 2011-01-09 2011-01-12 08:50:29 by enola
[MS] 【求助】频率谱是如何光滑的? (0/230) hhuwanghui 2011-01-11 2011-01-11 21:52:01 by hhuwanghui
[其他] 【求助】fedora 14安装icc打不上patch (2/341) 改王之王 2011-01-11 2011-01-11 18:08:57 by 改王之王
[MS] 【求助】Dmol K-piont 设置问题 (8/765) amywj 2010-12-30 2011-01-11 17:18:20 by fangyuan5687
[MS] 【求助】求助 (1/284) convenient 2011-01-11 2011-01-11 11:48:57 by xianggui7895
[Vasp&Me ] 【其他】vasp5.2 group name (1/288) hlshi 2011-01-11 2011-01-11 09:47:45 by hlshi
[MS] 【求助】MS缺陷模拟 (1/442) bingxing 2011-01-10 2011-01-11 09:23:33 by zd777
[QE(Pwsc ] 【求助】CG style diagonalization ERROR,输入,输出文件,及错误如下 (0/844) minmin_0082003 2011-01-11 2011-01-11 09:21:25 by minmin_0082003
[MS] 【求助】热力学数据分析 (2/869) 材料小宝宝 2010-12-31 2011-01-11 09:09:08 by 材料小宝宝
[MS] 【求助】castep 建模 (7/2184) 哭泣的luotuo 2010-12-28 2011-01-11 09:00:26 by 薛金祥
[MS] 【求助】gamma al2o3 建模时遇到困惑 帮帮我 (2/533) cuimingshan 2011-01-10 2011-01-11 08:22:55 by cuimingshan
[MS] 【求助】smearing (1/3248) number1xu 2011-01-10 2011-01-10 22:14:24 by frank_zhan
[Abinit] 【求助】请问Occupation matrix for correlated orbitals该如何理解 (0/547) Local_Spin 2011-01-10 2011-01-10 20:06:54 by Local_Spin
[Vasp&Me ] 【求助】关于电子自洽 (3/1513) lgxyz 2011-01-07 2011-01-10 20:04:40 by sunyang1988
[MS] 【求助】CASTEP结构优化 (0/283) akun22951 2011-01-10 2011-01-10 19:52:35 by akun22951
[Siesta& ] 【求助】siesta中怎样通过施加应变得到应力?? (2/535) miaozhang 2011-01-10 2011-01-10 19:45:41 by shxincui518
[Vasp&Me ] 【求助】什么是fixed-spin-moment calculations(FSM)?可分析什么?VASP怎么做? (5/1266) zhjh888888 2011-01-08 2011-01-10 19:31:53 by zhjh888888
[MS] [关贴]【原创】哪位仁兄做过gamma-al2o3,能否交流交流? (评阅-2) (0/397) cuimingshan 2011-01-10 2011-01-10 16:51:03 by cuimingshan
[MS] 【求助】计算AFM的半导体时参数怎么设置? (0/331) gougou531 2011-01-10 2011-01-10 15:23:56 by gougou531
[MS] 【求助】在用LDA+U计算性质时出现错误 (0/371) gougou531 2011-01-10 2011-01-10 15:06:46 by gougou531
[Vasp&Me ] 【求助】怎样计算表面能??? (0/384) kmw.8668 2011-01-10 2011-01-10 13:14:23 by kmw.8668
[MS] 【求助】问下MS discover 如何加力 (金币≥1)(1/53) 不是人间焰火 2011-01-10 2011-01-10 12:28:13 by xianggui7895
[MS] 【求助】紧急求助 (评阅-1) (2/403) convenient 2011-01-09 2011-01-10 12:24:28 by xianggui7895
[Vasp&Me ] 【求助】我编译出来的vasp可执行文件是否链接正确了? (4/764) zyj8119 2011-01-09 2011-01-10 12:04:06 by zyj8119
[MS] 【求助】请高手指教啊!! (4/748) maxuesh 2010-12-26 2011-01-10 09:55:56 by maxuesh
[Vasp&Me ] 【求助】崩溃 VASP 90个小时 (5/920) 拓海1627 2011-01-08 2011-01-10 04:30:04 by mooncakeaa
[MS] 【求助】CASTEP计算能量 (2/640) liangping3881 2011-01-09 2011-01-09 22:58:37 by souledge
[MS] 【求助】CASTEP能量不收敛? (2/1166) xianggui7895 2011-01-07 2011-01-09 22:55:57 by souledge
[MS] 【求助】能用Materials-studio计算氧化物的表示导电性或与导电性相关的指标吗? (0/682) yppp 2011-01-09 2011-01-09 22:35:02 by yppp
[Vasp&Me ] 【求助成功】Vasp编译问题,换了一个编译器就好啦 (0/664) yzh1977 2011-01-07 2011-01-09 22:26:03 by yzh1977
[MS] 【求助】求教一下fp计算系统中各个物质所带电荷问题 (1/385) xk6891 2011-01-08 2011-01-09 22:19:23 by zzy870720z
[MS] 【求助】TS confirmation计算中出现的问题 (0/573) charityqi 2011-01-09 2011-01-09 20:53:44 by charityqi
[MS] 【求助】如何用MS查看高斯的计算结果 (2/701) ter20 2011-01-07 2011-01-09 20:08:28 by ter20
[MS] 【求助】如何计算化合物最可能构象 (0/440) mountwar 2011-01-09 2011-01-09 19:50:49 by mountwar
[Abinit] 【求助】为什么Abinit6.4.1等高版本的软件包算东西比以前的5.8.x版本慢那么多? (5/1223) frank_zhan 2010-10-30 2011-01-09 19:36:27 by mazuju028
[MS] 【求助完毕】Windows下无法提交任务到Linux不运行 (5/654) gongxd325 2011-01-07 2011-01-09 16:50:26 by china1949
[MS] 【求助】MS安装 (11/1153) 龙牙山 2010-12-26 2011-01-09 16:31:25 by amynihao
[Vasp&Me ] 【求助】slab模型的电子结构计算 (5/2330) nkleof 2010-12-16 2011-01-09 12:27:23 by wei.ji
[MS] [关贴]【求助】求助empty bands 设置,请具体说明怎么设置。 (1/674) g.s923 2011-01-09 2011-01-09 12:12:57 by dlthl
[Vasp&Me ] 【求助】请问vasp能不能算加磁场的情况 (1/1481) tinkie0411 2011-01-06 2011-01-09 03:11:45 by tinkie0411
[Vasp&Me ] 【求助】请问哪位高手怎么用VSAP计算物质的能带结构和磁性 (5/1403) zh060702012 2010-11-12 2011-01-09 00:23:15 by liuxiaoe
[MS] 【求助】MS4.4计算显示问题    ( 1 2 ) (10/1183) aliceyu 2010-12-30 2011-01-08 22:37:16 by lbambool
[MS] 【求助】c如何吸附在二氧化钛的表面    ( 1 2 3 ) (20/1386) guolianshun 2010-07-13 2011-01-08 22:12:26 by zzy870720z
[其他] 【求助】ZnS易呈n型导电性还是p型? (4/1429) vaspstudy 2011-01-07 2011-01-08 20:32:00 by bingmou
[Vasp&Me ] 【原创】hit a member that was already found in another star的解决方法 (评阅+2) (5/1172) bingmou 2010-10-06 2011-01-08 20:10:53 by bingmou
[MS] 【求助成功】急求linux中DMol3的inputfile脚本编写格式? (2/637) lwg020810 2011-01-07 2011-01-08 10:14:32 by lwg020810
[MS] 【求助】dmol中间产物 (2/632) charityqi 2010-12-29 2011-01-07 22:31:53 by charityqi
[QE(Pwsc ] 【求助完结】calculation = "relax" 改为 “vc-relax", (11/1778) minmin_0082003 2011-01-06 2011-01-07 22:02:50 by zzy870720z
[其他] [关贴]【其他】招聘专家顾问及其奖励专帖    ( 1 2 3 4 5 6 ) (评阅+10) (50/1682) zzy870720z 2010-06-02 2011-01-07 21:31:35 by goldenfisher
[MS] 【求助】关于spin polarized的选项 (4/819) dare 2011-01-06 2011-01-07 21:03:28 by xianggui7895
[Abinit] 【求助】怎么确定abinit计算能带结构的费米能位置 (6/2305) 学员UKbkc5 2010-12-08 2011-01-07 19:50:43 by frank_zhan
[MS] 【其他】磁无序怎么用MS建模型 (0/453) piao2004ha 2011-01-07 2011-01-07 18:43:01 by piao2004ha
【求助】Xcrysden在wien2k的使用问题!    ( 1 2 ) (15/3003) shxincui518 2008-12-17 2011-01-07 17:29:34 by 改王之王
[MS] 【求助】过渡态搜索 (0/447) charityqi 2011-01-07 2011-01-07 15:31:26 by charityqi
[MS] 【求助】超胞的内原子坐标问题 (3/714) guolianshun 2010-09-03 2011-01-07 15:19:13 by guolianshun
[MS] 【求助】castep模块在加压的过程中如何获得应力应变曲线 (2/1233) qx08131989 2010-12-18 2011-01-07 14:36:05 by truemantwo
[MS] 【求助】MS使用perl语言编程,怎么计算有机分子从水相运动到有机相的自由能变化? (2/527) 5858797 2011-01-07 2011-01-07 13:09:19 by 5858797
[Vasp&Me ] 【求助】请教如何做做电子态密度图 (1/409) smile8932 2011-01-07 2011-01-07 12:40:50 by 0610240
[其他] [关贴]胶原建模 (评阅-2) (1/262) fu19871111 2011-01-07 2011-01-07 11:34:53 by fu19871111
[Vasp&Me ] [关贴]【求助】vasp 输出问题? (4/679) 拓海1627 2011-01-06 2011-01-07 09:09:09 by 拓海1627
[版务] 【其他】关于专家顾问的问题讨论(这里已限制仅斑竹和专家顾问进,大家尽管发言)    ( 1 2 3 4 ) (评阅+3) (37/1961) aylayl08 2010-10-20 2011-01-07 08:52:15 by ylli
[其他] 【求助】细化 (0/160) liql301 2011-01-07 2011-01-07 08:29:17 by liql301
[MS] 【求助】MS建模后导出.celll文件出错是怎么回事 (8/1425) 夕阳西下 2011-01-06 2011-01-07 07:55:40 by zzy870720z
[Vasp&Me ] 【求助】vasp 态密度 波函数 (1/643) ywyou 2011-01-06 2011-01-07 04:38:28 by umklapp
[Vasp&Me ] 【求助】一维或二维问题可以用ismear=-5么 (4/842) 小木虫于 2011-01-06 2011-01-07 04:35:25 by umklapp
[MS] 【求助】关于MS其他模块的教程 (5/1128) Excaliburn 2011-01-06 2011-01-06 21:48:27 by lbambool
[MS] 【求助】大家看一下我的这个计算机配置行不行    ( 1 2 ) (16/1714) Excaliburn 2011-01-04 2011-01-06 18:28:26 by gongjijun
[MS] 【求助】诡异的磁性 (5/938) nodding 2011-01-06 2011-01-06 16:47:46 by nodding
[MS] 【求助】求助,求助 (0/326) dingwei8108 2011-01-06 2011-01-06 15:48:47 by dingwei8108
[MS] 【求助】MS5.0能带计算问题? (0/241) ddang100 2011-01-06 2011-01-06 15:48:13 by ddang100
[QE(Pwsc ] [关贴]问题解决 (0/254) minmin_0082003 2011-01-06 2011-01-06 13:00:08 by minmin_0082003
[Abinit] 【求助】能不能在结构优化结束后立刻计算能带结构? (3/705) frank_zhan 2011-01-05 2011-01-06 12:19:41 by frank_zhan
[Vasp&Me ] 【求助已成功】VASP赝势中考虑不同的外层电子 (2/390) xiaowu787 2011-01-06 2011-01-06 11:49:31 by xiaowu787
[MS] 【求助】原子与分子物理学报怎么样 (15/3415) liujie5631 2010-12-27 2011-01-06 10:38:49 by hedaors
[MS] 【求助】纳米晶晶格常数变化表示。 (0/207) liwh1990 2011-01-06 2011-01-06 10:13:14 by liwh1990
[MS] 【求助】怎样画能带 (6/819) convenient 2011-01-05 2011-01-06 09:55:04 by convenient
[其他] 【求助】计算出来的掺杂能比较大,2 eV 左右,如何说服审稿人,该工作有实际意义 (0/365) xh512 2011-01-06 2011-01-06 09:26:06 by xh512
[Vasp&Me ] 【求助】VASP (6/755) gmy1990 2011-01-03 2011-01-06 09:19:45 by apple3260
[MS] 【求助】MS如何建立掺杂原子或者替位原子的模型 (1/1562) 夕阳西下 2011-01-05 2011-01-05 23:27:01 by cg陈
[MS] 【求助】Barde charge 是什么东西? (5/1330) freshman8185 2011-01-05 2011-01-05 22:22:08 by beefly
[MS] 【求助】请问在MS中怎么画出这个图? (2/573) 缺心眼桌 2010-12-30 2011-01-05 21:18:40 by 夕阳西下
[Vasp&Me ] 【求助】这样的图该怎么做 (1/357) fulin 2011-01-04 2011-01-05 19:50:43 by lzl8181
[Vasp&Me ] 【求助】掺杂时有关能带的计算 (1/762) wanglei200 2011-01-05 2011-01-05 19:35:10 by lzl8181
[MS] 【求助】催化反应过程中能垒 (1/2861) 沉默是金8138 2011-01-05 2011-01-05 16:38:37 by ellsaking
[其他] 【求助】pietty的使用:software caused connection abort! (6/1238) joannewanghf 2011-01-04 2011-01-05 16:24:51 by joannewanghf
[MS] 【求助】计算完之后没有结果怎么办 (6/704) liuhongge1 2011-01-04 2011-01-05 15:35:15 by liuhongge1
[QE(Pwsc ] 【求助】关于PWscf在机群上并行的问题 (15/2179) 暖秋 2010-12-08 2011-01-05 15:20:07 by meng303
[MS] 【求助】castep计算dos时,返回文件有错 (1/223) sendy 2011-01-05 2011-01-05 15:08:32 by sendy
[Vasp&Me ] 【求助】VASP 运行出现的问题    ( 1 2 ) (13/916) 拓海1627 2010-12-30 2011-01-05 14:31:22 by 拓海1627
[MS] 【求助】声子计算 (金币≥10)(7/121) akun22951 2011-01-02 2011-01-05 14:20:52 by akun22951
[Vasp&Me ] 【求助】关于拟合得到体弹性模量&自旋极化&LDA+U等问题,望大家指点指点 (4/2581) fzuvivi 2010-12-27 2011-01-05 14:15:49 by zzy870720z
[MS] 【求助】N原子的能量计算 (6/1146) zhanglx8632 2011-01-04 2011-01-05 13:09:01 by zhanglx8632
[Vasp&Me ] 【求助】禁带宽度的读取 (3/1684) bananawuzhu 2011-01-05 2011-01-05 11:21:08 by guolianshun
[MS] 【求助】固定部分原子的分数坐标 (0/759) astrolia 2011-01-05 2011-01-05 11:01:27 by astrolia
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