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    [热点] 体制内长辈说体制内绝大部分一辈子在底层,如同你们一样大部分普通教师忙且收入低 瞬息宇宙 2026-02-26 刚刚
    [MS] 【求助】material studio4.1 (3/259) zhanping 2009-09-24 2009-09-26 22:41:30 by zhanping
    [MS] 【求助】纳米团簇 (0/145) 徐亮8090 2009-09-26 2009-09-26 21:12:49 by 徐亮8090
    [MS] 【求助】MS中哪里看计算的bulk的性质 (7/760) nicholasyp 2009-09-24 2009-09-26 20:14:46 by zxling
    [MS] 【求助】奇怪!优化后的结构优化不收敛 (5/1610) pingping6396 2009-09-25 2009-09-26 20:12:29 by zxling
    [Vasp&Me ] 【求助】如何把团簇同过castep转换成vasp坐标 (7/503) ddang100 2009-09-25 2009-09-26 20:10:53 by linggang87
    [MS] 【求助】稳定结构找键长 (1/100) 徐亮8090 2009-09-26 2009-09-26 17:17:26 by liusanbing
    [其他] 【求助】CPMD编译找不到platform (1/94) rechill 2009-09-15 2009-09-26 17:03:43 by zsjan
    [其他] 【求助】分子轨道占据 (4/456) 徐亮8090 2009-09-25 2009-09-26 12:12:25 by guifan
    [关贴]【求助】(20金币求助)谁能把materials studio 4.4传给我 (评阅-31) (8/524) daxuezju 2009-04-22 2009-09-26 11:44:59 by tjzxd
    [MS] 【求助】问一个比较弱的问题 (9/561) shelay 2009-09-21 2009-09-26 09:51:01 by yachunwang
    [MS] 【求助】关于CrO2 (6/519) zk2004707 2009-09-25 2009-09-26 09:46:56 by yachunwang
    [MS] 【讨论】DMol3和CASTEP计算过渡金属表面吸附比较 (评阅+2) (5/2000) clickme 2009-09-24 2009-09-25 23:10:20 by clickme
    [MS] 【求助】如何快速学会MS软件    ( 1 2 ) (14/1073) fu8777 2009-09-17 2009-09-25 22:45:15 by fu8777
    [其他] 【求助】一个专业小问题 (3/194) 徐亮8090 2009-09-25 2009-09-25 20:27:00 by 徐亮8090
    【求助】呵呵,大家帮帮忙吧 (评阅+2) (8/405) 906980368 2009-09-25 2009-09-25 20:06:28 by 906980368
    [MS] 【求助】掺杂问题 (4/438) liangfh12 2009-09-25 2009-09-25 18:47:46 by liangfh12
    [MS] 【求助】用discover跑动力学出错 (6/735) shaopeng6539 2009-09-01 2009-09-25 15:21:28 by pumf
    [QE(Pwsc ] 【原创】RRKJ赝势 (1/492) xirainbow 2009-09-25 2009-09-25 14:27:06 by beyondstar
    [MS] 【求助】如何用用Linux联网搭建cluster (1/96) liangfh12 2009-09-25 2009-09-25 11:37:47 by cos60
    [MS] 【求助】【求助】问一个dmol3在服务器上面运行的问题! 10 (1/169) deadbook 2009-09-25 2009-09-25 10:26:23 by deadbook
    [MS] 【讨论】关于DMOL中频率计算的问题 (0/169) hyliu0618 2009-09-25 2009-09-25 10:18:53 by hyliu0618
    [Vasp&Me ] 【分享】推荐一个VASP的好的网站 (评阅+1) (8/589) xiaojie7783 2009-09-22 2009-09-25 08:50:39 by leafting
    [Wien2k& ] 【求助】旋轨耦合时lapw2c出错 10 (1/213) qingliniao 2009-09-24 2009-09-24 22:35:03 by qingliniao
    [MS] 【讨论】第一性原理文章水平讨论    ( 1 2 3 ) (23/1879) shelay 2009-09-22 2009-09-24 22:15:42 by shelay
    [MS] 【求助】如何从MS中的CASTEP模块提取力常数矩阵(Hession)矩阵 (7/879) oytxtu 2009-09-21 2009-09-24 22:06:06 by xirainbow
    [MS] 【讨论】晶格常数是由哪些因素决定的 (6/890) chzhmei 2009-09-22 2009-09-24 20:40:58 by yachunwang
    [其他] 【求助】ICSD报错 extension "" can not be exported (1/153) freshgirl 2009-09-24 2009-09-24 17:42:52 by 小木虫2008388
    [其他] 【讨论】大家来讨论:计算化学的终极目标是什么呢? (9/608) xiaowandouer 2009-09-23 2009-09-24 16:34:31 by liangab_234620
    【求助】:Ubuntu下安装Gaussian03 问题    ( 1 2 ) 1 (12/992) hbzjdd 2009-02-19 2009-09-24 15:32:24 by abbott
    [Wien2k& ] 【讨论】如何计算反射系数? (2/231) wy2008szy 2009-09-20 2009-09-24 12:44:48 by identation
    [MS] 【求助】MS计算态密度图问题 (4/505) lcl211 2009-09-23 2009-09-24 10:10:43 by lcl211
    【分享】集群建设入门讲义 (18/1138) ilovexiaomucun 2009-01-14 2009-09-24 09:57:36 by zhangyunli
    [MS] 【求助】用discover如何取坐标 (7/399) shaopeng6539 2009-09-22 2009-09-24 08:43:16 by qasd
    [MS] 【求助】转博了,换方向做分子模拟,基础知识应该先看那些书呢? (9/711) tonywong 2009-09-23 2009-09-23 22:40:03 by yzcluster
    [Siesta& ] 【分享】ATK中如何高效简洁地构建脚本 (评阅+3) (1/199) fangyongxinxi 2009-09-23 2009-09-23 21:49:33 by fangyongxinxi
    [MS] 【求助】【求助】关于如何建立SBA-15分子筛 (0/151) wobushi512 2009-09-23 2009-09-23 21:39:49 by wobushi512
    [Vasp&Me ] 【求助】Selective dynamic relaxation (8/657) lxjuan 2009-09-21 2009-09-23 20:36:46 by lxjuan
    [Vasp&Me ] 【求助】求vtotav.f 程序 (9/1269) jghe 2009-08-16 2009-09-23 20:09:11 by jghe
    [Vasp&Me ] 【求助】用DFT+U计算INCAR参数如何设置 (3/949) jinhuan123 2009-09-15 2009-09-23 20:08:59 by jinhuan123
    [Vasp&Me ] 【求助】vasp 错误 20 (0/109) laplacetalor 2009-09-23 2009-09-23 19:57:31 by laplacetalor
    [Vasp&Me ] [关贴]【求助】vasp 错误 (0/123) laplacetalor 2009-09-23 2009-09-23 19:56:34 by laplacetalor
    [MS] 【求助】磁矩的计算问题    ( 1 2 ) (16/1441) 静峰 2009-09-20 2009-09-23 19:55:59 by hebut
    [Vasp&Me ] 【求助】ViewerPro转换vasp文件到ms (0/189) liluyan 2009-09-23 2009-09-23 16:39:37 by liluyan
    [MS] 【求助】333 (评阅-2) (0/80) 徐亮8090 2009-09-23 2009-09-23 16:23:36 by 徐亮8090
    [MS] 【讨论】一个关于DMOL3计算对象的疑问 (3/220) kugou521 2009-09-21 2009-09-23 16:15:30 by kugou521
    [其他] 【活动】Gaussian的FQA(回帖就有2-7个金币拿!) (0/101) yjcmwgk 2009-09-23 2009-09-23 14:04:35 by yjcmwgk
    [Vasp&Me ] 【求助】vasp静态计算 1 (8/2310) 子虚乌有5388 2009-09-20 2009-09-23 13:46:55 by liluyan
    [MS] 【求助】Materials studio4.3 linux版下载 (1/195) 冻冻2007 2009-09-23 2009-09-23 12:56:43 by lfhuang
    [Vasp&Me ] 【求助】请教dos沿x轴的平移与费米能级的变化关系 (3/393) chuzhaonan 2009-09-22 2009-09-23 12:45:35 by lfhuang
    [Siesta& ] 【原创】并行编译SIESTA (18/3486) liangab_234620 2009-06-11 2009-09-23 12:27:06 by redskywei
    [MS] 【求助】请教 在ms里如何沿某个晶向或zone去看3D晶体结构 10 (0/454) wll790107 2009-09-23 2009-09-23 10:58:36 by wll790107
    [Siesta& ] 【讨论】偏压下计算电子性质(模型优化方法,参数设置及意义) (评阅+5) (8/1086) fangyongxinxi 2009-07-20 2009-09-23 10:49:57 by freshgirl
    [Wien2k& ] 【求助】Wien2k计算孤立原子,急急急!!!! (8/779) Wanghui6383 2009-09-09 2009-09-23 10:27:10 by anin
    [Vasp&Me ] 【讨论】收敛问题 12 (6/539) ztwang 2009-09-22 2009-09-23 10:20:24 by ztwang
    【求助】【急】一个关于fftw安装的问题 (评阅+1) (3/714) pop680 2009-09-15 2009-09-23 08:57:47 by js.ao
    [MS] 【求助】Castep结构优化生成的.ckeck文件可不可以删? (5/590) TYHB 2009-09-19 2009-09-23 08:37:07 by cenwanglai
    [关贴]【求助】向高手求Materials studio 的教程,谢谢啦 (1/207) 北交宁宁 2009-09-22 2009-09-23 00:32:35 by yjcmwgk
    [MS] 【求助】dmol3分析frequency 2 (4/585) shaopeng6539 2009-09-16 2009-09-22 19:58:37 by digilab
    【求助】是否影响到最终的能量值 (评阅+2) (6/296) vasp 2009-09-22 2009-09-22 18:58:52 by fegg7502
    [Vasp&Me ] 【求助】VASP中如何设置三重态的计算 (1/177) sschobits 2009-09-22 2009-09-22 16:36:29 by csfn
    [MS] 【求助】如何用Materials.Studio建立NaY分子筛模型? 10 (4/501) swordboy1980 2009-09-16 2009-09-22 16:33:57 by swordboy1980
    【求助】linux系统 经常死机 怎么办? (评阅+2) (8/496) luyunqiang 2009-09-19 2009-09-22 16:23:37 by wally8962
    [Vasp&Me ] 【求助】vasp如何加压?    ( 1 2 3 ) (23/3718) liddrr 2009-08-27 2009-09-22 16:12:44 by linggang87
    [MS] 【求助】MS4.4与MS4.3和MS4.1有什么主要差别吗 (4/585) liujie5631 2009-09-22 2009-09-22 12:51:37 by liujie5631
    [Vasp&Me ] 【求助】510表面的建模 (3/244) hczheng899 2009-09-21 2009-09-22 11:26:44 by chen9110
    [MS] 【求助】晶胞结构 (0/122) 七龙珠 2009-09-22 2009-09-22 11:08:32 by 七龙珠
    [MS] 【求助】动力学中 密度-z轴距离图 的作法(已解决-谢谢关注) 5 (0/88) trickle111 2009-09-22 2009-09-22 10:09:08 by trickle111
    【求助】vasp 静态计算 (评阅+1) (3/351) vasp 2009-09-21 2009-09-22 09:47:21 by vasp
    [MS] 【求助】MS中用哪个版块计算分子的表面积 4 (2/148) caozf 2009-09-21 2009-09-22 09:19:13 by caozf
    [MS] 【讨论】大家有没有做DPD的?交流一下 (1/150) Dream-weaver 2009-09-17 2009-09-22 08:46:57 by Dream-weaver
    [MS] 【求助】怎样建立Au胶粒的模型。 (1/138) yyx19840628 2009-09-21 2009-09-22 08:20:49 by yyx19840628
    [Siesta& ] 【求助】关于安装siesta中的编译器PGI (5/465) rechill 2009-09-11 2009-09-22 08:15:12 by xhsh
    [Vasp&Me ] 【求助】average (electrostatic) potential at co (0/145) gphysics 2009-09-22 2009-09-22 07:30:29 by gphysics
    [MS] 【求助】原子VCA算法 (6/1524) kk10130915 2009-09-20 2009-09-21 21:40:59 by encke
    【求助】在Linux下如何使用C语言    ( 1 2 ) (19/846) calos818 2009-07-02 2009-09-21 20:49:41 by fegg7502
    [Vasp&Me ] 已解决【求助】请帮忙解释一下C60计算后OUTCAR文件里面的的几行内容    ( 1 2 ) (10/1208) wmm-11 2008-10-11 2009-09-21 20:37:48 by chuzhaonan
    [MS] 【求助】请教Hohenberg-Kohn定理的证明的问题 (2/1095) 仙儿贝贝 2009-09-12 2009-09-21 17:48:42 by 仙儿贝贝
    [Vasp&Me ] 【分享】Vasp5.2编译碰到p4_error: interrupt SIGSEGV: 11的解决方法 (评阅+3) (4/1387) liangab_234620 2009-09-14 2009-09-21 16:20:36 by abcasi
    [MS] 【求助】[求助]优化后原子位置 (4/425) hh113 2009-09-21 2009-09-21 16:17:32 by hh113
    [Vasp&Me ] 【求助】关于vasp购买和升级 (4/929) sars518 2009-09-14 2009-09-21 16:07:05 by liangab_234620
    [MS] 【求助】用discover跑动力学无重复性 (1/111) shaopeng6539 2009-09-21 2009-09-21 15:59:48 by csfn
    [MS] 【求助】超胞的作用 1 (9/1379) 静峰 2009-09-20 2009-09-21 15:55:22 by zxzj05
    [MS] 【求助】算径向分布函数要求 1 (0/199) shaopeng6539 2009-09-21 2009-09-21 15:19:59 by shaopeng6539
    [MS] 【求助】跑动力学无法平衡问题求助 (5/349) shaopeng6539 2009-09-20 2009-09-21 14:41:57 by shaopeng6539
    [MS] 【求助】用MS如何得到晶体结构 3 (8/1971) 405963512 2009-08-26 2009-09-21 14:41:26 by guifan
    [Siesta& ] [请教]siesta赝势与基组    ( 1 2 ) (15/1713) quantum999 2009-03-20 2009-09-21 12:52:58 by redskywei
    【分享】Tripos 的最新版SYBYL 8.0下载 (评阅+1) (2/762) colinz 2009-04-23 2009-09-21 10:35:26 by victory_liu
    [MS] 【求助】CASTEP算性质时老停掉怎么回事? (2/162) jinhuan123 2009-09-20 2009-09-21 10:33:31 by yindeqiang
    [MS] 【求助】discover如何打开图形文件    ( 1 2 ) (11/539) shaopeng6539 2009-09-18 2009-09-21 08:29:10 by qasd
    [MS] 【求助】硼B的空间群,晶格常数,原子坐标~ (8/1054) ynu88 2009-09-15 2009-09-21 01:09:04 by longmei_cn
    [MS] 【求助】构建amorphous cell出现错误 (2/177) genho8612 2009-08-16 2009-09-20 23:17:36 by genho8612
    [MS] 【求助】 如何设置计算条件?    ( 1 2 ) (12/978) wfbgc 2009-07-21 2009-09-20 22:36:44 by greeeed
    [Abinit] 【求助】怎样弄到 In 的 LDA_TM 赝势(49in.pspnc) (3/488) casjxm 2009-08-29 2009-09-20 19:13:55 by baoer3808
    [MS] 【求助】铁磁性的计算    ( 1 2 ) (16/1005) 静峰 2009-09-03 2009-09-20 18:53:36 by 375713000
    [QE(Pwsc ] 【分享】Convergence tests (评阅+2) (3/432) xirainbow 2009-08-02 2009-09-20 17:40:05 by xirainbow
    [MS] 【求助】在MS中能否输出d-t2g的态密度图? (0/139) guifan 2009-09-20 2009-09-20 17:22:28 by guifan
    [其他] 【求助】等离子可以用第一性原理模拟么? 16 (5/566) beefly 2009-09-20 2009-09-20 17:19:32 by sandongyuwang
    [MS] 【求助】castep计算task中的energy?? (7/691) yinsong810 2009-08-31 2009-09-20 13:01:56 by guifan
    [Vasp&Me ] 【求助】alpha+bet 是什么意思? 1 (5/1076) jghe 2009-09-17 2009-09-20 10:55:56 by jghe
    [MS] 【求助】新手提问:如何进行K点的收敛测试 (8/1668) chuyong 2009-09-01 2009-09-20 10:53:26 by liangzhang
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