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[热点] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 1uaZt2kAZj2S 2026-11-01 刚刚
[Vasp&Me ] 【求助】坐标求助 (1/260) kmw.8668 2011-03-14 2011-03-19 19:11:11 by casjxm
[MS] 【求助】MSlinux安装 (0/511) lynarcissusly 2011-03-19 2011-03-19 18:14:53 by lynarcissusly
[Vasp&Me ] 【求助完毕】NEB过渡态计算neb.dat中force的正负是什么意思? (1/670) cenwanglai 2011-03-07 2011-03-19 15:29:54 by cenwanglai
[Vasp&Me ] 【求助】根据一些人的指点 写了一些原子坐标POSCAR 帮我看看呗 hcp a=3.209 c= 5.21 (0/322) hans201011 2011-03-19 2011-03-19 14:26:47 by hans201011
[Abinit] 【求助】怎样让abinit跑起来?    ( 1 2 ) (11/2131) lzl8181 2010-08-31 2011-03-19 12:16:49 by 25351048
[Vasp&Me ] 【求助】ELFCAR在VASTE里的图片(三维)的颜色标尺怎么做 (金币≥500)(4/50) 明月李 2011-03-19 2011-03-19 10:46:29 by sunyang1988
[MS] 【求助】Licenses for MS5.5 WIN7-64 error (1/620) jiewei 2011-03-19 2011-03-19 03:41:18 by zyxme
[MS] 【求助】文献翻译 (1/549) qqfly2003 2011-03-07 2011-03-18 21:17:39 by 尹珺加油
[MS] 【求助】请高人指点MS 优化问题 (2/656) yshl7237 2011-03-13 2011-03-18 20:54:29 by 尹珺加油
[Vasp&Me ] 【求助】操作问题,vasp中如何约束单胞参数然后优化 (2/382) byin 2011-03-18 2011-03-18 19:22:40 by byin
[MS] 【求助】服务器连接计算 (2/639) sss3012 2011-03-18 2011-03-18 18:50:25 by lbambool
[Vasp&Me ] 【求助】石墨烯的poscar文件,最好说明如何写?具体原理,不用ms。 (0/1064) fqpwork 2011-03-18 2011-03-18 17:14:40 by fqpwork
[其他] 【求助】钕的空位形成能 (2/289) txf10 2010-12-01 2011-03-18 17:12:47 by txf10
[其他] 【求助】求助ECP (0/463) 大水牛3377 2011-03-18 2011-03-18 17:10:54 by 大水牛3377
[Vasp&Me ] 【求助】费米能级与计算得到的体系的能量是什么关系? (7/2087) byin 2011-03-11 2011-03-18 16:46:31 by 夕阳西下
[MS] 【求助】用GGA优化不收敛 (10/2115) ly958 2011-03-14 2011-03-18 16:25:06 by ly958
[其他] 【求助】审稿人的意见不明白,求帮助 (5/980) 278036903 2011-03-16 2011-03-18 16:23:25 by 278036903
[Vasp&Me ] 【求助成功】自己的output和网上下载的output长得不一样,怎么解决啊?(楼主取消) (2/369) Gina88 2011-03-16 2011-03-18 13:21:17 by Gina88
[MS] 【求助】表面吸附 (0/250) xfy0423 2011-03-18 2011-03-18 11:02:40 by xfy0423
[Wien2k& ] 【求助】怎么用WEIN2K 画2D的 电荷密度图 (0/1117) jiang666lei 2011-03-18 2011-03-18 10:28:59 by jiang666lei
[MS] 【求助】MS 5.5安装失败 求助 (5/1169) milo163 2011-03-15 2011-03-18 09:02:55 by huweny87
[Vasp&Me ] 【求助】关于RWIGS标签 (1/391) gtssongchi 2011-03-16 2011-03-17 23:41:35 by deligent
[MS] 【求助】MS关于混合焓计算问题-怎样替换原子? (金币≥10)(1/75) youqin5912 2011-03-14 2011-03-17 16:24:21 by youqin5912
[MS] 【求助】如何做出Au簇的模型 (0/593) sunzhiguo 2011-03-17 2011-03-17 10:42:51 by sunzhiguo
[MS] 【求助】请教高手Au/TiO2{203}模型如何做 (4/519) sunzhiguo 2011-03-16 2011-03-17 10:40:52 by sunzhiguo
[MS] 【求助】请大家帮忙解决MS运行问题 (9/2038) who1981114 2011-03-15 2011-03-17 10:12:20 by who1981114
[Siesta& ] 【求助】如何在siesta中求出真空能级和功函数? (2/729) hw45888792 2011-03-16 2011-03-17 09:40:34 by hw45888792
[MS] 【求助】谁有【能带和态密度图的绘制】的视频麻烦发个链接 (2/472) purewater2715 2011-03-09 2011-03-17 08:40:30 by meimeidyh
[Siesta& ] 【求助】关于输入参数MD.MaxForceTol (5/1840) hitchar514 2011-03-16 2011-03-16 23:08:30 by hitchar514
[Vasp&Me ] 【求助】请大家给介绍几篇浅显易懂的关于用DOS分析表面成键的文献 (1/601) lgxyz 2011-03-13 2011-03-16 15:22:13 by dazao
[MS] 【求助】帮忙看看是什么问题 (0/309) sssdashuai 2011-03-16 2011-03-16 15:03:14 by sssdashuai
[MS] 【求助】界面能的计算 (1/1370) lh_fang 2011-03-11 2011-03-16 13:07:42 by yefeixjtu
[MS] [关贴]【求助】无法让原子只在z方向弛豫 (2/351) guitar2033 2011-03-15 2011-03-16 12:18:21 by guitar2033
[MS] 【求助】Tio2模型为什么替换掉一个TI原子后,结构中的TI原子都变成替换了的? (2/434) liuy1235 2011-03-16 2011-03-16 12:07:47 by dali2006
[MS] 【求助】超晶格 Vs. 量子阱 (评阅+1) (5/1545) lfzlpd 2011-01-30 2011-03-16 11:00:27 by qqpie
[MS] 【求助】[求助]Phosphorus (P)的晶格参数 (3/652) yuchun 2011-03-14 2011-03-16 10:29:19 by yuchun
[MS] 【求助】frequency and phonon (2/476) cash_ms 2010-12-22 2011-03-16 08:59:38 by 冰雨雾
[MS] 【求助】晶体结构图 (5/831) mountwar 2011-03-15 2011-03-16 08:57:42 by youzhizhe
[Vasp&Me ] 【求助】下面的建议和警告该怎么解决啊? (3/776) Gina88 2011-03-15 2011-03-16 07:16:21 by cenwanglai
[Vasp&Me ] 【求助】VASP求助 (1/633) 太白击剑 2011-03-15 2011-03-15 23:32:10 by luohaijun10
[MS] 【求助】请教一下各位二硫化钛的晶格常数及基矢是多少,非常感谢!!! (1/1314) 蜀中山鹰 2011-03-15 2011-03-15 23:16:03 by lindlar0078
[MS] [专家] 【求助】在materials studio里面能把一个结构作中心反演或者镜面吗? (0/956) dxcharlary 2011-03-15 2011-03-15 22:33:19 by dxcharlary
[MS] 【求助】服务器计算的问题 (10/2293) shelay 2011-02-24 2011-03-15 21:25:41 by lbambool
[MS] 【求助】购买castep的license数目问题 (4/888) yangger 2011-03-14 2011-03-15 20:14:39 by lbambool
[Vasp&Me ] 【求助】DOSCAR的解读? (0/2384) 缺心眼桌 2011-03-15 2011-03-15 16:49:43 by 缺心眼桌
[Vasp&Me ] 【求助完毕】为何要计算空带? (5/1360) just_play 2011-03-14 2011-03-15 16:24:57 by cenwanglai
[MS] 【求助】晶体硅与非晶硅 (1/571) 天天人间 2011-03-15 2011-03-15 16:07:47 by bingmou
[MS] 【求助】麻烦各位给查一下晶体结构原子坐标,PCPDF 48-0108 Ca2MgWO6 谢谢! (2/472) wy2008szy 2011-03-15 2011-03-15 15:26:02 by lindlar0078
[Abinit] 【求助】abinit CaO2*2*2超晶包算能带 (0/315) fanny0007 2011-03-15 2011-03-15 14:34:41 by fanny0007
[Vasp&Me ] 【求助】用vmd可视化vasp的电荷密度的问题。 (0/1337) 小木虫于 2011-03-15 2011-03-15 14:34:38 by 小木虫于
[热点前沿 ] 【求助】一些术语的翻译和区别 (7/2674) hunanren7868 2010-12-09 2011-03-15 14:05:43 by cenwanglai
[MS] 【求助】请教:用MS对富勒烯进行GGA几何优化时core treatment该如何设置呀? tabindex= (3/1211) songh_cn 2011-03-14 2011-03-15 11:49:51 by beefly
[MS] 【求助】castep优化失败 (0/351) luobenhua 2011-03-15 2011-03-15 11:24:25 by luobenhua
[MS] 【求助】通讯失败后就只有一两个cpu在计算了 (0/243) zhenfeili 2011-03-15 2011-03-15 11:23:43 by zhenfeili
[MS] 【求助】急:怎样在Ni(111)上建[(根号7)X(根号7)]R30°的复杂单胞 (1/734) zcntydyd 2011-03-15 2011-03-15 11:22:00 by 渔火江枫
[MS] 【求助】建模型草图疑惑 (0/212) yangbob 2011-03-15 2011-03-15 11:14:04 by yangbob
[MS] 【求助】拜托各位了,求助文献 (0/195) nwx_ky 2011-03-15 2011-03-15 09:08:58 by nwx_ky
[Vasp&Me ] 【求助】Vasp菜鸟问问下面的问题怎么解决啊? (6/2442) Gina88 2011-03-06 2011-03-14 21:20:40 by deligent
[Vasp&Me ] 【求助】用vasp计算AIMD,怎么得到体系的外压? (1/1610) tiantian2921 2011-03-14 2011-03-14 18:52:07 by gavinliu7390
[Vasp&Me ] 【求助完成】能带计算中,Syml应该怎么写呢? (0/1044) Prettyswan 2011-03-14 2011-03-14 18:22:32 by Prettyswan
[其他] 【求助】半金属性 (2/603) zml2009 2011-03-14 2011-03-14 17:24:53 by zml2009
[Vasp&Me ] 【求助】vasp的chgcar用vmd打开的isosurface颜色调整问题 (0/1282) 小木虫于 2011-03-14 2011-03-14 17:17:13 by 小木虫于
[QE(Pwsc ] 【求助】力常数文件 (0/548) newton3915 2011-03-14 2011-03-14 17:00:33 by newton3915
[MS] 【求助】ms运行与IE有关吗? (2/461) wunianleng 2011-03-14 2011-03-14 15:33:52 by youzhizhe
[Vasp&Me ] 【求助】p4vasp软件 (3/1028) 学员CkImlJ 2011-01-20 2011-03-14 15:18:51 by luding861011
[Siesta& ] 【求助】如何在siesta中设置ghost state原子的计算 (16/3874) hw45888792 2011-03-07 2011-03-14 14:10:58 by dalongmao
[MS] 【求助】启动MS时出现这个错误提示 (3/769) hans201011 2011-03-08 2011-03-14 13:25:50 by jacky.linn
[MS] 【求助】如何从MS中得到自发极化强度? (金币≥1)(0/64) 274273 2011-03-14 2011-03-14 13:14:30 by 274273
[MS] 求助:MS castep 可以算极化强度 (2/686) yangkunspace 2009-03-08 2011-03-14 12:56:33 by 274273
[MS] 【求助】如何计算晶体极化强度 (评阅+1) (1/743) 以诚相待 2010-03-28 2011-03-14 12:55:09 by 274273
[MS] 【求助】紧急求助,急需帮忙。 (0/159) convenient 2011-03-14 2011-03-14 11:43:52 by convenient
[MS] 【求助】用CASTEP怎么算体系的偶极矩 (1/677) 姚姗姗 2010-11-09 2011-03-14 10:55:25 by 目光之城
[Vasp&Me ] 【求助】如何确定U值大小 (6/1538) hexx621 2011-02-14 2011-03-14 10:47:54 by hexx621
[其他] [关贴]【求助】文章投稿中出现的问题 (1/348) zhuguomin1 2011-03-14 2011-03-14 10:46:28 by fengshiquan
[其他] 【其他】转正了,散金币分享喜悦!    ( 1 2 3 ) (108/3295) zhang668 2011-03-11 2011-03-14 09:04:59 by cenwanglai
[Vasp&Me ] 【讨论】什么是赝势?为什么用赝势?    ( 1 2 ) (18/7412) calos818 2009-10-27 2011-03-13 21:09:22 by zzubkff
[MS] 【求助】求助MS计算式任务进行顺序的问题 (7/1692) hello8128 2011-03-07 2011-03-13 20:04:11 by souledge
[Siesta& ] 【求助】ATK中Initial State中的自旋如何设置。 (0/676) luckyheizi 2011-03-13 2011-03-13 16:45:31 by luckyheizi
[MS] 【求助】求ZnO价带顶能量 (1/457) kangli8165 2011-03-13 2011-03-13 14:58:33 by stractor
[MS] 【求助】请问Casetep中内参数u是直接看到的还是算出来的,如果是算出来的,怎么算? (7/1497) jhniu8233 2011-03-07 2011-03-13 13:05:49 by 尹珺加油
[MS] 【求助】电子donor和acceptor (0/819) mountwar 2011-03-13 2011-03-13 10:13:07 by mountwar
[MS] 【求助】氢键 (0/308) mountwar 2011-03-12 2011-03-12 21:15:34 by mountwar
[MS] 用dmol3算振动频率 (0/522) luqianshan 2011-03-12 2011-03-12 17:07:31 by luqianshan
[其他] 【求助】哪位存有这个xc-1.5.18-cygwin-shared.tar.gz (3/503) hakuna 2011-03-12 2011-03-12 16:23:18 by zzy870720z
[MS] 【求助】单个氧原子的能量E出现问题,请高手指教! (18/4400) liang7035 2010-12-08 2011-03-12 15:54:16 by hiluokun
[其他] 【求助】属于不同群结构之间的掺杂会怎么样?如何对称群结构突变的? (6/1306) DDO8809 2011-03-04 2011-03-12 13:35:53 by franch
[MS] 【分享】MS castep 计算化学高级教程 (评阅+1) (金币≥10)(6/291) lixxyyzzz 2009-06-04 2011-03-12 13:32:43 by 陈余酒家
[MS] 【求助】HF/6-31G方法得出的初始结构 (5/904) liujuan8704 2011-03-07 2011-03-12 11:19:53 by liujuan8704
[MS] 【求助】Castep中如何计算自由原子的能量?    ( 1 2 ) (10/3296) freshman8185 2010-12-23 2011-03-12 10:50:33 by freshman8185
[Siesta& ] 【求助】请问这个构型用ATK怎么构造呀? (6/1533) qnsyhanjiu 2011-03-01 2011-03-12 10:36:48 by fan0221
[MS] 【求助】dmol过渡态计算问题 (1/620) charityqi 2011-03-10 2011-03-12 08:47:58 by liancsh
[MS] 【求助】MS 5.5 中DFT-D算法应该怎么算? (2/1019) xiaocuicui 2011-03-11 2011-03-11 22:44:00 by xiaocuicui
[Wien2k& ] 【求助】关于外加磁场的问题!! (0/1187) wh_xy 2011-03-11 2011-03-11 22:26:27 by wh_xy
[MS] 【求助】请问不同版本的MSwindow和linux 可以一起用吗? (3/459) lynarcissusly 2011-03-11 2011-03-11 22:15:06 by qasd
[MS] 【求助】MS 计算时电荷数怎么设? (0/877) yshl7237 2011-03-11 2011-03-11 21:46:03 by yshl7237
[MS] 【其他】算过不同浓度掺杂的同志请看过来 (2/463) 张丽英 2011-03-01 2011-03-11 20:04:04 by zhanghuiyuan
[MS] 【求助】某晶面的差分电荷分布图怎么得到?态密度怎么积分的? (6/2223) liuy1235 2011-03-11 2011-03-11 18:20:49 by liuy1235
[MS] 【求助】大家看看谁有这本书,许诺100金币 (2/475) yrx19861111 2011-03-11 2011-03-11 16:39:41 by hakuna
[MS] 【求助】DMOL3中TS search中断后能否继续计算? (8/2591) 紫石婴宁 2011-03-10 2011-03-11 14:25:48 by mountwar
[MS] 【求助】锐钛矿相TiO2掺F的掺杂浓度? (1/333) freshman8185 2011-03-11 2011-03-11 14:02:34 by lfzlpd
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