24小时热门版块排行榜    

管理团队 (金币库 94062.1 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

存档说明

  • 提示:您目前浏览的是本版块存档区的帖子列表。点击这里进入本版块最新列表
  • 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] 为什么中国大学工科教授们水了那么多所谓的顶会顶刊,但还是做不出宇树机器人? 欢乐颂叶蓁 2026-02-27 刚刚
    【求助】计算速度 (7/772) 小木虫503 2009-03-18 2009-06-04 21:39:17 by lbambool
    [Vasp&Me ] 【求助】如何在windows xph上安装p4vasp    ( 1 2 ) (12/4134) sunyunmeng 2008-06-28 2009-06-04 20:03:44 by 2008210014
    【求助】计算失败疑问 (1/136) jieweiwei 2008-11-08 2009-06-04 19:18:12 by Julie9563
    【求助】关于Discovery分析的问题 (7/489) QQQ9589 2009-04-20 2009-06-04 16:05:06 by shaopeng6539
    [MS] 【求助】谁用过Windows平台机群跑Castep (0/133) 2008210014 2009-06-04 2009-06-04 15:34:13 by 2008210014
    [Vasp&Me ] 【求助】哪位写过求d-band center的小程序? (7/708) huangyc 2009-04-07 2009-06-04 15:15:39 by dwyuan
    [MS] 【讨论】用discovery能直接得到弹性模量吗? (1/177) 466902981 2009-04-17 2009-06-04 15:14:51 by shaopeng6539
    【求助】求助:周期性边界模拟后没有氢键能部分? (8/442) yongbinz 2009-05-21 2009-06-04 15:14:31 by saitou
    [MS] [求助]如何用分析ms模拟的径向分布函数 3 (4/718) wangtemp2003 2008-09-05 2009-06-04 14:20:23 by pumf
    [其他] 【求助】关于简并半导体 8 (2/222) cos60 2009-06-04 2009-06-04 11:23:00 by cos60
    [MS] 【求助】【求助】怎么看MD的全部输出结果 3 (6/671) 466902981 2009-06-03 2009-06-04 10:43:39 by 466902981
    [Siesta& ] 【求助】siesta参数问题 (1/226) Huanhuan5360 2009-06-03 2009-06-04 10:26:15 by xhsh
    [其他] 【求助成功】第一性是啥东东? (6/681) wuzhenzhi 2009-06-03 2009-06-04 10:18:46 by 老虎大王
    【求助】集群中CASTEP无法算dos (9/1111) lightwlj 2009-05-31 2009-06-04 07:43:33 by lightgjx
    (求助)castep中的constraint什么时候起作用? (8/1119) jinhongyan2009 2008-12-15 2009-06-03 21:59:44 by xiaowandouer
    【求助】求教如何利用castep计算光学性质    ( 1 2 ) (12/1172) ct417 2009-06-02 2009-06-03 21:13:12 by ct417
    【求助】请教一下能不能用MS计算高温高压的物性,在castep中怎样实现啊! (6/818) lixxyyzzz 2009-05-21 2009-06-03 20:11:57 by liuxiaocunde
    [MS] 【求助】关于计算Sb掺杂ZnO模拟计算的问题 (2/249) 050610727 2009-06-03 2009-06-03 20:06:31 by yulifto
    【求助】关于建模的问题 (6/444) 375713000 2009-04-21 2009-06-03 19:32:22 by Julie9563
    【求助】Dmol3中怎样得到自旋密度的数值 (2/209) chunfang1260 2009-05-29 2009-06-03 17:49:51 by chunfang1260
    [MS] 【求助】calculate vibtation modes using discover问题求助 (0/102) shaopeng6539 2009-06-03 2009-06-03 17:07:05 by shaopeng6539
    【求助】请教MS计算中掺杂原子的浓度问题 (6/834) hbdxmajk 2009-04-27 2009-06-03 16:43:51 by yulifto
    [其他] 【求助】高斯则么算vertical electron affinity (1/120) weixp2008 2009-06-03 2009-06-03 16:08:59 by xiaoboy185
    【求助】ZnO结构能量结算    ( 1 2 ) 1 (11/819) sss3012 2009-04-19 2009-06-03 15:54:03 by Julie9563
    [MS] [求助]如何选择原子对计算键长及键角分布? (8/1231) xmuyjm 2008-09-22 2009-06-03 14:58:05 by 466902981
    [Vasp&Me ] 【求助】p4vasp安装有错 (3/441) yjr 2009-05-27 2009-06-03 14:55:07 by yjr
    [Siesta& ] [求助]如何从siesta结果中得到rdf?    ( 1 2 ) (10/905) abinitio 2009-03-23 2009-06-03 14:41:25 by dalongmao
    [Vasp&Me ] 【求助】【求助】Ni2MnGa/GaAs 界面 supercell 模型的选取 (4/234) luolijin 2009-06-03 2009-06-03 11:16:07 by leoaqu
    [MS] 【求助】discover分析问题 (3/205) shaopeng6539 2009-06-03 2009-06-03 11:10:43 by shaopeng6539
    [MS] 【求助】overflow是什么意思 (2/158) shaopeng6539 2009-06-02 2009-06-03 11:08:02 by shaopeng6539
    [MS] 【求助】论坛的MS不能下载了,谁有的上传一个,麻烦了,谢谢 (2/135) 379631818 2009-06-01 2009-06-03 11:06:30 by saitou
    [MS] 【求助】Materials Studio 软件谁有的提供一个,谢谢 (6/1005) 379631818 2009-06-01 2009-06-03 10:57:06 by saitou
    [MS] 【求助】怎么找力场文件 (3/870) shaopeng6539 2009-06-02 2009-06-03 10:36:24 by saitou
    [MS] 【求助】MS新手群? (3/372) yzhou44 2009-06-01 2009-06-03 10:26:54 by saitou
    【讨论】再问一下老虫新虫们,有没有在linux下装MS的? (3/273) hyliu0618 2009-06-01 2009-06-03 08:02:23 by sars518
    [MS] 【求助】【求助】pbe或rpbe计算能垒精确度如何? (0/214) xjz_zjx 2009-06-03 2009-06-03 07:41:27 by xjz_zjx
    [MS] 【求助】MS中建立graphene模型    ( 1 2 ) (16/3088) wangxx6038831 2009-04-08 2009-06-03 02:54:44 by fuzp
    [MS] 【求助】castep求助 (3/709) ct417 2009-06-02 2009-06-02 23:59:15 by fuzp
    [Abinit] 【分享】从VASP到ABINIT-- 输入文件比较 (11/1372) zxzj05 2009-03-21 2009-06-02 22:46:05 by NKDMS
    [MS] 【求助】【求助】CASTEP 关于计算红外光谱时频率的问题 (2/258) Robin_Fu 2009-04-19 2009-06-02 22:12:24 by ljhlj
    [MS] 【求助】用超晶包建立的界面和用build layer建立的界面相同么? (5/1054) stou 2009-04-05 2009-06-02 21:29:43 by Julie9563
    [MS] 【求助】【求助】什么是Delta SCF计算?? (2/291) sdjgdu 2009-05-29 2009-06-02 20:54:57 by bei10
    【求助】castep (4/309) 2008210014 2009-06-01 2009-06-02 20:38:08 by fuzp
    [MS] 【讨论】添加的原子怎么会在晶格外 (9/394) w2056275 2009-06-01 2009-06-02 20:10:38 by cbFeng200881
    【求助成功】关于同位素的问题 (3/364) ljhlj 2009-05-23 2009-06-02 19:55:43 by ljhlj
    [MS] 【求助】声子谱分析出错原因 (0/192) pengxian_lu 2009-06-02 2009-06-02 18:59:51 by pengxian_lu
    [Wien2k& ] 【求助】请问有用过wien2k估算出居里温度的吗? 6 (3/464) wysong 2009-05-25 2009-06-02 17:36:57 by zxzj05
    【求助】怎么选键 (2/141) shaopeng6539 2009-05-10 2009-06-02 17:36:44 by zxzj05
    [MS] 【求助】Energy difference between successive steps 10 (2/133) 466902981 2009-06-02 2009-06-02 16:54:38 by 466902981
    【求助】dmol3做咪唑类阳离子 2 (2/158) jilly7860 2009-05-29 2009-06-02 16:35:57 by bei10
    [MS] ICSD2004版纳米盘下载 (18/3285) anvier 2008-08-08 2009-06-02 16:10:49 by zch203755
    【求助成功】打算学习第一性原理,如何入手    ( 1 2 3 ) (21/1457) 379631818 2009-05-31 2009-06-02 16:04:37 by 点点儿
    [Wien2k& ] 【求助】wien2k 计算core states的DOS (0/144) leoaqu 2009-06-02 2009-06-02 15:56:33 by leoaqu
    [MS] 【求助】[求助]HOMO,LUMO图的做法 (7/1143) hxwyy2005 2009-06-02 2009-06-02 14:25:35 by hxwyy2005
    [MS] [交流]氮化硼在CASTEP的弹性常数的整个计算流程    ( 1 2 ) (评阅+2) (14/1200) zjj760120 2009-02-23 2009-06-02 10:51:05 by lixxyyzzz
    [MS] 【求助】几何优化后的结果文件怎么分析 3 (4/426) jilly7860 2009-06-01 2009-06-02 10:34:02 by jilly7860
    [Vasp&Me ] 【求助】POTIM的设置 (8/1808) liluyan 2009-05-30 2009-06-02 10:29:38 by liluyan
    [Vasp&Me ] 【求助】结构优化的问题 (7/593) liluyan 2009-06-01 2009-06-02 10:25:14 by liluyan
    [Vasp&Me ] 【求助】新虫请教~态密度不用静态计算可不可以? (9/518) jugengfans 2009-05-27 2009-06-02 09:19:48 by gavinliu7390
    【求助】那位朋友有MS 4.2 Linux版本的下载地址! 5 (3/324) TYHB 2009-06-01 2009-06-02 07:45:13 by TYHB
    [Vasp&Me ] 【求助】关于Fe的一个很很怪异的现象    ( 1 2 ) (12/715) yuer7133 2009-05-21 2009-06-01 21:24:06 by fanchen021
    【求助】文件没有后缀 (5/293) shaopeng6539 2009-05-27 2009-06-01 18:01:44 by shaopeng6539
    【求助】安装问题 (4/370) shaopeng6539 2009-05-28 2009-06-01 18:01:05 by shaopeng6539
    【求助】minimize问题求助 (7/294) shaopeng6539 2009-05-28 2009-06-01 17:38:48 by shaopeng6539
    [Siesta& ] 【求助】ATK如何运行 (5/574) wutingting5283 2009-05-31 2009-06-01 16:22:14 by zdhlover
    【求助】径向分布函数和自相关函数 (7/684) QQQ9589 2009-05-24 2009-06-01 14:51:11 by QQQ9589
    [Abinit] [关贴]【分享】封贴    ( 1 2 ) (评阅+1) (17/776) wenjlu 2009-05-25 2009-06-01 13:59:00 by wenjlu
    【求助】求MS的软件介绍 2 (5/405) jilly7860 2009-06-01 2009-06-01 12:26:16 by woshilaoer8381
    【求助】关于castep    ( 1 2 ) (10/694) wuhongleiz 2009-05-31 2009-06-01 12:22:19 by amoxyz
    [MS] 精华I[资源]MS建模小结    ( 1 2 3 ) (132/9446) cup_lee 2008-06-09 2009-06-01 11:57:31 by 很爱很爱你
    [MS] 【求助】vibrational intensity (2/180) yokee-jin 2009-04-17 2009-06-01 11:54:18 by shaopeng6539
    [MS] 【求助】Discover最多允许多少个原子?    ( 1 2 3 ) (21/890) 点点儿 2009-05-19 2009-06-01 11:28:06 by 466902981
    【求助】成不了键? (7/528) shaopeng6539 2009-05-31 2009-06-01 10:50:53 by wendaoliuxu
    [Vasp&Me ] 【求助】第一原理代算(输入文件已经建好) 203 (金币≥20)(9/357) simone389 2009-05-23 2009-06-01 10:49:44 by guitar2033
    【求助】single energy 失败问题求助 (5/319) shaopeng6539 2009-05-31 2009-06-01 10:35:09 by wenmenkui
    [其他] 【求助】如何设计可降低导带底 9 (2/134) threedays 2009-05-25 2009-06-01 10:19:15 by ilyx8050
    【求助成功】急求不能旋转 (8/491) shaopeng6539 2009-05-27 2009-06-01 05:13:47 by bluce
    [MS] 【讨论】运行MS对显卡要求高吗?    ( 1 2 ) (评阅+2) (14/588) pumf 2009-05-31 2009-06-01 05:02:31 by bluce
    【求助】请问castep中,能够计算顺磁性吗? (4/426) yulifto 2009-05-31 2009-06-01 00:41:17 by yzcluster
    【求助】求助,grid spacing设置的是什么? (1/477) qzhaosdu 2009-05-31 2009-05-31 22:55:15 by fuzp
    [MS] 【其他】前几天到大连开会的冒个泡呗 (0/135) xiaoboy185 2009-05-31 2009-05-31 21:29:14 by xiaoboy185
    【求助】请问如何在linux下建立MS计算集群? 8 (1/174) TYHB 2009-05-31 2009-05-31 21:03:47 by shxincui518
    [QE(Pwsc ] 【求助】关于计算声子时分裂的问题 (0/132) zhl2967 2009-05-31 2009-05-31 20:52:36 by zhl2967
    [其他] 【其他】有去参加7月5号在清华召开的计算材料会议的,问一下 (5/374) wysong 2009-05-31 2009-05-31 20:44:33 by Gerald2370
    【求助】castep中有没有可以输入晶粒尺寸的地方 (3/290) liamyin 2009-05-31 2009-05-31 20:30:43 by Gerald2370
    [MS] 【求助】如何用MS计算红外和拉曼? (5/476) xuyawen3893 2009-05-31 2009-05-31 20:02:41 by houbingfeng
    [MS] 【求助】Castep和Forcite对H2的几何优化问题 10 (4/509) zhmdream 2009-05-30 2009-05-31 19:57:38 by zxzj05
    [MS] 【求助】CASTEP和DMol3哪个更适合作小分子在金属表面吸附的计算 (3/397) liuzhm1980 2009-05-29 2009-05-31 18:50:10 by liuxiaocunde
    [MS] 【求助】和QQ冲突怎么办 (9/708) shaopeng6539 2009-05-29 2009-05-31 15:33:13 by yulifto
    [QE(Pwsc ] 【求助】请问用pwscf能计算热力学性质吗 (5/636) zhl2967 2009-05-20 2009-05-31 14:06:35 by zhl2967
    [MS] 【求助】Material studio 安装不能运行    ( 1 2 ) (11/1979) lb1586551 2009-05-29 2009-05-31 12:59:22 by ynu88
    [MS] 【分享】介绍DFT和(L)APW方法的英文书一本 (7/492) lxrui 2009-05-28 2009-05-31 11:37:00 by leillei
    [MS] 【求助】AC 建盒子一般建几个好? (6/373) 点点儿 2009-05-30 2009-05-31 11:00:49 by qasd
    [其他] 【分享】2009.3.14浙江大学Rietveld精修的资料 (18/1103) autorun 2009-03-14 2009-05-31 10:26:48 by pizzabing
    [Vasp&Me ] 【求助】vasp编译错误,应如何正确编译 (8/985) wangle_xq 2009-05-27 2009-05-31 09:23:45 by veryman
    [MS] 【求助】material studio价格    ( 1 2 ) (16/8295) liuzhm1980 2009-05-28 2009-05-31 08:27:02 by oyljw
    [MS] 【求助】关于磁性计算 (4/433) mnilj 2008-07-03 2009-05-31 02:07:59 by cbFeng200881
    [MS] 【求助】icsd输出的说明 (1/183) weixp2008 2009-05-31 2009-05-31 02:06:19 by cbFeng200881
    [MS] 【求助】DMol3电场计算态密度结果分析    ( 1 2 ) 6 (10/934) yuchun 2009-04-17 2009-05-31 01:35:51 by weixp2008
    [MS] 【求助】可以 用笔记本跑程序吗    ( 1 2 3 ) (20/1344) shaopeng6539 2009-05-29 2009-05-31 01:24:30 by weixp2008
    相关版块跳转
    查看