24小时热门版块排行榜    

管理团队 (金币库 94489.2 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
11%最高出勤率

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] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 hKe7U1kad5Sg 2026-11-01 刚刚
[MS] 【求助】请教,+u 和 scissors 的设置! (4/1070) gongjijun 2010-12-18 2010-12-20 18:30:54 by dlthl
[Abinit] 【求助】有关anaddb中elphsmear和a2fsmear的取值 (3/760) 学员UKbkc5 2010-12-14 2010-12-20 17:56:23 by mrd-81
[MS] 【求助】qiijiao (7/1767) mk1599 2010-12-19 2010-12-20 14:00:53 by souledge
[MS] 【求助】急求啊 (6/701) freeningxing 2010-12-19 2010-12-20 13:58:53 by souledge
[MS] 【求助】晶体结构原子替换 (7/2040) nihaifang- 2010-12-17 2010-12-20 12:53:07 by yaodu
[MS] 【求助】有关materials studio文献 (1/461) mk1599 2010-12-20 2010-12-20 12:09:47 by ym23
[MS] 【求助】ms (4/553) mk1599 2010-12-19 2010-12-20 11:13:55 by 5858797
[MS] 【求助】请问算graphene能带时倒格矢怎么取 (2/490) whiteman 2010-12-20 2010-12-20 10:49:45 by 水座
[MS] 【求助】castep原子电荷计算问题 (3/2044) wzh上善若水 2010-12-13 2010-12-20 10:37:39 by astrolia
[MS] 【求助】要买新计算机,求推荐 (3/588) Excaliburn 2010-12-19 2010-12-20 10:35:29 by youzhizhe
[MS] 【求助】这个晶体该怎么画    ( 1 2 ) (13/1589) mk1599 2010-12-18 2010-12-20 09:52:52 by boylc789
[MS] 【求助】c磁性计算结果分析 (4/592) qwji 2010-12-17 2010-12-20 09:45:13 by qwji
[MS] 【求助成功】MS软件问题 (9/2534) yufengjiayou 2010-12-18 2010-12-20 09:25:56 by yufengjiayou
[MS] 【求助】MS4.4linux安装license错误 (金币≥20)(8/285) linldq 2010-05-27 2010-12-19 19:43:53 by lbambool
[MS] 【求助】alpha-MnO2的(200)面和(001)面的原子排列,非常感谢! (1/589) nanowei 2010-12-19 2010-12-19 17:47:56 by pro_junjie
[MS] 【求助】用MS如何计算N2能量 (0/347) maxuesh 2010-12-19 2010-12-19 17:08:54 by maxuesh
[热点前沿 ] 【求助】寻找李正中《固体理论》习题答案 (0/528) hhp102 2010-12-19 2010-12-19 15:17:37 by hhp102
[热点前沿 ] 【求助】求助一篇PSS.b论文 (0/258) guoliangfan 2010-12-19 2010-12-19 12:56:30 by guoliangfan
[MS] 【求助】几何优化 (4/603) nihaifang- 2010-12-18 2010-12-19 11:52:33 by nihaifang-
[MS] 【求助】求计算时间参考 (9/1479) Excaliburn 2010-12-18 2010-12-19 11:14:30 by Excaliburn
[MS] 【求助】在能带图上标出不同轨道? (2/398) freshman8185 2010-12-17 2010-12-19 09:35:11 by freshman8185
[MS] 【其他】[讨论] 如何计算(如图) (0/254) aibude163 2010-12-18 2010-12-18 23:51:31 by aibude163
[MS] 【求助】有没有氧化物相图生成软件 (0/503) liujie1003 2010-12-18 2010-12-18 21:59:00 by liujie1003
[MS] 【求助】MS50安装的问题 (0/316) boylc789 2010-12-18 2010-12-18 21:10:37 by boylc789
[MS] 【求助】"gateway time out" (4/1283) anothermomo 2010-12-17 2010-12-18 19:37:06 by anothermomo
[Siesta& ] 【其他】刚开始做,想问问最初始的问题 (4/792) ustbwgs 2010-12-13 2010-12-18 16:05:14 by 扭扭糖
[MS] 【求助】帮忙看一下这幅图!!! (5/950) wydzyx2003 2010-12-13 2010-12-18 14:36:32 by chenjerry
[MS] 【求助】请教楼主 (4/746) cocoling 2010-12-18 2010-12-18 13:45:08 by xisogr
[MS] 【求助】ICSD 数据库加密了怎么办 (1/589) Excaliburn 2010-12-18 2010-12-18 11:53:03 by lbambool
[MS] 【求助】population 计算完之后 分析的时候点assign 可是没什么变化? (1/351) Excaliburn 2010-12-18 2010-12-18 11:52:06 by lbambool
[MS] 【求助】MS5.0无法启动,求高人解答啊。 (16/2001) leehb870605 2010-12-16 2010-12-18 09:31:04 by chenjerry
[Vasp&Me ] 【求助】vasp5.2为什么连接网线才能运行 (5/1513) yxcai 2010-12-16 2010-12-18 05:42:53 by frank178
[MS] 【求助】castep 计算的时候怎么查看每一步and 如何判断是否收敛 (1/1159) Excaliburn 2010-12-17 2010-12-17 23:50:03 by ym23
[Vasp&Me ] 【求助】vasp计算能带时的Kpoints (2/647) songdewang 2010-12-17 2010-12-17 23:25:06 by zhang_jaj
[MS] 【求助】castep报错但是依然开始,报错信息仅显示感叹号。求指点 (0/324) ride138 2010-12-17 2010-12-17 23:23:43 by ride138
[MS] 【求助】MS 并行计算 (2/676) sss3012 2010-12-17 2010-12-17 19:08:04 by lbambool
[MS] 【求助】求国内做有关钢铁的第一性原理的牛人 (1/532) ysdxkangjie 2010-12-17 2010-12-17 15:19:18 by quantum999
[Vasp&Me ] 【求助】对INCAR参数的一个疑点 (4/713) 75150618 2010-12-17 2010-12-17 13:50:22 by zhang_jaj
[Wien2k& ] 【求助成功】wien2k的maillst接收不到邮件………… (4/929) 改王之王 2010-12-15 2010-12-17 13:38:12 by 改王之王
[MS] 【求助】dmol中计算反应活化能该使用哪种能量呢? (0/408) charityqi 2010-12-17 2010-12-17 11:21:55 by charityqi
[Vasp&Me ] 【求助】请教IOPT的选择 (4/3744) lgxyz 2010-12-16 2010-12-17 10:56:24 by fanchen021
[MS] 【求助】dmol单个原子能量计算 (0/1405) cf666 2010-12-17 2010-12-17 10:38:02 by cf666
[MS] 【求助】表面吸附 (4/580) xfy0423 2010-12-16 2010-12-17 10:23:21 by 心宁
[MS] 【求助】计算的单原子能与文献中不同 (2/548) sunspota 2010-12-16 2010-12-16 23:07:30 by stractor
[MS] 【求助】如何将晶体里的原子换成分子?MS (4/515) sikasun 2010-12-10 2010-12-16 22:21:57 by wjq870708
[MS] 【求助】castep计算中EOS拟合 (4/1233) wzh上善若水 2010-12-15 2010-12-16 21:01:44 by wzh上善若水
[Wien2k& ] 【求助】Optimization for tetragonal lattice (5/930) shiy 2010-12-13 2010-12-16 20:15:58 by ling19880914
[MS] 【求助】求助Dmol3的教程资料或者学习资料 (1/492) wang1234wxj 2010-12-16 2010-12-16 18:32:34 by lzl8181
[MS] 【求助】帮忙看一下这个电荷密度怎么回事??    ( 1 2 ) (15/1776) xuelian172 2010-11-24 2010-12-16 17:48:18 by 274273
[MS] 【求助】晶型预测 (0/504) mountwar 2010-12-16 2010-12-16 14:51:33 by mountwar
[MS] 【求助】bond volume (0/223) ynhebibo 2010-12-16 2010-12-16 14:20:45 by ynhebibo
[MS] 【求助】MS求晶格常数,样品有顺磁性怎么优化啊 (0/248) wuhen997 2010-12-16 2010-12-16 14:02:54 by wuhen997
[Vasp&Me ] 【讨论】拉普拉斯电荷分布(laplacian of the electron density) (评阅+1) (3/1537) first_yg 2010-12-09 2010-12-16 11:47:16 by first_yg
[MS] 【求助】如何分析dmol得到的电势分布图 (0/274) shengfengyu 2010-12-16 2010-12-16 11:10:20 by shengfengyu
[MS] 【求助】请问下nickel和YSZ的Interfacial energy的求法 (0/497) gasam 2010-12-16 2010-12-16 11:09:06 by gasam
[其他] 【求助】服务器长时间不启动后启动不了了怎么办 (6/922) xianggui7895 2010-12-14 2010-12-16 11:00:54 by youzhizhe
[MS] 【求助】全电子计算 (0/971) xf8349756 2010-12-16 2010-12-16 10:07:29 by xf8349756
[QE(Pwsc ] 【求助】Garmma点的声子频率 (2/561) 暖秋 2010-12-14 2010-12-16 09:46:22 by 暖秋
[MS] 【求助】MS5.5安装出错,请大侠指点。    ( 1 2 ) (10/2193) qgqgrm 2010-12-10 2010-12-16 09:05:25 by huweny87
[MS] 【求助成功】请教这样的结构如何创建 (8/848) xk6891 2010-12-14 2010-12-16 00:07:46 by xk6891
[Siesta& ] 【求助】smeagol并行计算失败,求助 (5/1163) guohuazhong 2010-12-15 2010-12-15 22:25:10 by zhangguangping
[Vasp&Me ] 【求助】DOS计算中,设置ISMEAR=-5为什么还要用SIGMA? (4/2454) Prettyswan 2010-12-15 2010-12-15 21:40:46 by bingmou
[Abinit] 【求助】为什么abinit-6.2.3 tutorial 里面的lesson3运行不了? (7/1776) frank_zhan 2010-10-04 2010-12-15 21:33:09 by frank_zhan
[Vasp&Me ] 【求助】VASP能算团簇吗 (12/2924) qkzh3091 2010-11-30 2010-12-15 21:24:31 by dxcharlary
[MS] 【求助】ms中如何去除晶体中的一个原子并用其它原子去替代    ( 1 2 ) (10/3865) ahu1221 2010-12-15 2010-12-15 18:41:47 by lbambool
[MS] 【求助】如何用ms来算晶体表面态 (2/437) ahu1221 2010-12-15 2010-12-15 15:30:19 by ahu1221
[热点前沿 ] 【求助】投影DOS (3/729) xx2008 2010-11-06 2010-12-15 15:09:27 by zengchangan
[MS] 【求助】求助能级的贡献 (0/185) xmcgw 2010-12-15 2010-12-15 14:47:19 by xmcgw
[MS] 【其他】版权问题 (5/1084) aliceyu 2010-12-15 2010-12-15 14:41:48 by feass2
[MS] [关贴]【求助】MATLAB画MS等势线的梯度问题 (评阅-2) (1/449) shengfengyu 2010-12-14 2010-12-15 13:24:25 by shengfengyu
[Vasp&Me ] 【求助】占据态与非占据态 (7/6956) luolijin 2010-10-26 2010-12-15 10:02:33 by guolianshun
[Vasp&Me ] 【求助】vasp做过渡态 (2/524) Me卓 2010-12-14 2010-12-15 09:22:23 by Me卓
[MS] 【求助】计算聚合物中的氢键 (2/564) qiaobo 2010-11-29 2010-12-15 08:08:43 by fyz_ok
[MS] 【求助】windows server 2003 下 MS5.0 CPU运行效率问题 (6/1796) stray07 2010-10-12 2010-12-15 00:34:28 by lbambool
[MS] 【求助】请问各位大虾,对于纳米晶怎样在MS下输出其所包含原子的坐标位置? (0/314) liwh1990 2010-12-14 2010-12-14 20:58:34 by liwh1990
[Wien2k& ] 【求助】求铟元素,锌元素的形成能 (3/888) lan徉yang 2010-12-13 2010-12-14 20:32:33 by hgye
[Vasp&Me ] 【求助】关于VASP里面加自旋轨道耦合计算 (2/1625) xb1223 2010-12-14 2010-12-14 17:27:40 by sxjsn1
[MS] 【求助】请问:Dmol3 默认温度是多少    ( 1 2 ) (10/1989) zhouzhongjunzzj 2009-07-21 2010-12-14 15:36:45 by 278036903
[MS] 【求助】dmol3优化计算团簇的温度应该是多少 (评阅+1) (4/1523) nantian112 2009-11-13 2010-12-14 15:29:53 by 278036903
[其他] 【求助】Gaussian09可以算有机分子么? (4/603) mayim2008 2010-12-13 2010-12-14 10:03:32 by lgn
[Vasp&Me ] 【求助】vasp算出的小分子dos图和文献比有很大不同 (1/764) peng.029 2010-12-13 2010-12-13 22:34:41 by bingmou
[MS] 【求助】请问MS5.5安装(下载该论坛的MS5.5) (6/1830) 涅磐BornFirn 2010-12-12 2010-12-13 22:08:09 by akun22951
[MS] 【求助】怎么用ms构建包覆过程的模型啊??? (2/737) wb52 2010-12-06 2010-12-13 18:19:13 by wb52
[Vasp&Me ] 【求助】NaCl结构的ReC合成条件 (1/254) 06022043 2010-12-13 2010-12-13 16:08:06 by zyg3395
[Vasp&Me ] 【求助成功】NPAR (3/1829) wanglei200 2010-12-13 2010-12-13 16:06:22 by wanglei200
[其他] 【求助】储氢质量分数和体积密度 (0/1938) wang1234wxj 2010-12-13 2010-12-13 16:01:43 by wang1234wxj
[其他] 【求助】binding energy 怎么会是负的? (2/818) wang1234wxj 2010-12-13 2010-12-13 15:00:58 by fanchen021
[MS] 【求助】MS中discover模块中scattering structure function如何分析 (1/447) liaoliqiong 2010-12-13 2010-12-13 12:35:10 by cg陈
[MS] 【求助】急需帮忙 (5/931) convenient 2010-12-12 2010-12-13 12:10:31 by xiaohunhun
[MS] 【求助】CASTEP和DMOL3中的Dynamic的差别? (1/785) houfeifan 2010-12-13 2010-12-13 12:00:02 by zzy870720z
[其他] 【其他】庆祝计算模拟区成立三周年活动暨区刊《RCS》创刊一周年    ( 1 2 3 4 5 6 .. 26 ) (评阅+300) (259/12192) fegg7502 2010-11-01 2010-12-13 11:05:08 by cenwanglai
[其他] 【求助】MPW1PW91 (0/713) number1xu 2010-12-13 2010-12-13 10:37:45 by number1xu
[MS] 【求助】Atomic Populations怎么分析啊 (0/354) wzh上善若水 2010-12-13 2010-12-13 10:33:08 by wzh上善若水
[Abinit] 【求助】有关用abinit计算拉曼光谱 (1/572) hzy900211 2010-12-06 2010-12-13 09:49:55 by frank_zhan
[Abinit] 【求助成功】abinit 计算2X2X2supercell MgO 的DOS (16个原子) (8/2204) fanny0007 2010-12-07 2010-12-13 09:44:21 by frank_zhan
[MS] 【求助】想请问各位大虾,Dmol3可不可以两个任务一起运行啊,我用的是4核的DELL工作站 (7/1494) liwh1990 2010-12-11 2010-12-13 09:35:16 by liwh1990
[QE(Pwsc ] 【求助】请教声子计算,为什么会出现这样的问题呢 (1/652) identation 2010-12-10 2010-12-12 22:53:25 by goldenfisher
[Vasp&Me ] 【求助】请教vasp如何做寻找过渡态的频率验证 (1/1111) lightwlj 2010-12-12 2010-12-12 21:43:50 by fanchen021
相关版块跳转
查看