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[热点] 2024 - Donor Acceptor Cyclopropanes in Organic Synthesis asymmsyn 2026-02-07 刚刚
【求助成功】关于Amorphous Cell Tools (2/196) 百合绘梦 2009-03-26 2009-03-26 14:47:21 by pumf
[MS] 《求助》场发射电流的理论计算 (0/136) xiaoboy185 2009-03-26 2009-03-26 14:01:57 by xiaoboy185
[求助]spin polarization的计算 (5/574) hxwyy2005 2009-03-12 2009-03-26 13:38:10 by hxwyy2005
求助 MS中关于ZnO模型的建立问题 (3/413) 050610727 2009-03-09 2009-03-26 13:08:36 by amynliou
[MS] [求助]含有氟的团簇优化不容易收敛吗？ (5/289) study163 2009-03-25 2009-03-26 10:28:09 by study163
[求助]请问无序结构该怎么建模 (5/497) liumiao05 2009-03-24 2009-03-26 09:40:29 by zxzj05
【求助】CASTEP计算failure,急！ (8/783) nicholasyp 2009-02-24 2009-03-26 09:38:33 by zxzj05
[MS] 【求助】晶格参数和原子坐标在哪找啊 (4/1006) yding99 2009-03-23 2009-03-26 09:32:04 by yding99
[Vasp&Me ] 【求助】runlog中的warning (3/422) channe 2009-03-24 2009-03-26 08:13:59 by veryman
[MS] 【讨论】操作系统 (3/265) zjuer 2009-03-25 2009-03-26 01:19:21 by xujc1983
[其他] [求助] 求书：Density-Functional Theory of Atoms and Molecules (2/229) study163 2009-03-25 2009-03-25 22:50:51 by study163
[其他] 求助：embedded cluster model (0/71) dwma 2009-03-25 2009-03-25 22:05:32 by dwma
[Vasp&Me ] 【求助】怎么样画分子轨道空间分布 (2/281) hudu520 2009-03-25 2009-03-25 21:58:52 by stractor
[求助]job explore显示runing , cpu显示是零 (2/119) yueya9113 2009-03-25 2009-03-25 20:21:54 by yueya9113
【求助】离子液体建立不聊动力学盒子 (7/293) zyj8119 2009-03-23 2009-03-25 19:44:16 by qasd
【求助】关于TiO2纳米管的建模问题    ( 1 2 ) (10/740) SHY31 2009-03-24 2009-03-25 17:29:25 by xiaoboy185
[求助]castep参数的设置 (4/590) hxwyy2005 2009-03-07 2009-03-25 16:49:28 by awmc2008
（求助）不同晶面的异质结如何建 1 (4/862) sss3012 2009-03-02 2009-03-25 16:33:20 by awmc2008
[MS] [求助]建立钛铁矿的晶体结构 (1/141) bingo0603 2009-03-25 2009-03-25 16:28:00 by vbaov
求教：10个金币求教请问若MS停止后重新计算的问题 (1/535) szj2008hero 2009-03-25 2009-03-25 15:45:32 by vbaov
[MS] 杂质形成能以及缺陷形成能公式分别是什么啊 (评阅-2) (3/1128) 风筝9680 2009-03-24 2009-03-25 15:20:34 by vbaov
[MS] 【求助】氧化物建模 (2/182) yding99 2009-03-22 2009-03-25 14:26:04 by zhenben
【分享】上传一个GNU/MAKE的文档 (3/175) tjpm 2009-03-19 2009-03-25 11:47:29 by warmgun
[Vasp&Me ] 【求助】计算时出现的问题 (2/207) 小艾丫丫 2009-03-23 2009-03-25 11:10:54 by 小艾丫丫
【求助】关于修改盒子形状的问题 (9/473) fspdlh 2008-08-02 2009-03-25 10:47:22 by Sylatoe
[MS] MS中的ONETEP模块。 (评阅-2) (2/1029) yinwei_li 2009-03-25 2009-03-25 10:46:15 by yzcluster
【求助成功】：季铵盐建模 (6/388) pumf 2009-03-21 2009-03-24 22:56:56 by saitou
[MS] 讨论 利用MS如何计算晶体的马德龙能 (0/107) sss3012 2009-03-24 2009-03-24 22:51:26 by sss3012
【求助】discover提示错误是什么原因？ (5/856) zuozhijun5134 2008-04-24 2009-03-24 19:37:31 by bay__gulf
求助：重启服务器后 怎么继续上次的计算 (9/600) yangkunspace 2009-03-18 2009-03-24 18:46:16 by yangkunspace
[求助]在Al中掺杂Zn具体步骤 (6/633) caoshangfei2007 2009-03-23 2009-03-24 16:14:11 by lycoco
[MS] 【求助】关于利用MS建立YIG晶体模型的问题 (1/130) tongligen 2009-03-24 2009-03-24 15:47:10 by tongligen
[MS] 【求助】MS4.4 license的问题 (0/253) nicholasyp 2009-03-24 2009-03-24 14:34:06 by nicholasyp
［求助］VASP如何获得单个原子的能量    ( 1 2 ) (评阅+1) (17/875) wangle_xq 2009-03-12 2009-03-24 13:41:12 by cbFeng200881
[MS] [求助]请教一个晶体结构 (3/274) li_xinjiang 2009-03-20 2009-03-24 12:17:39 by tongligen
[MS] 求助：关于Discover中的对关联函数问题 (4/355) fspdlh 2008-07-14 2009-03-24 11:32:56 by fspdlh
【求助】Al6Mn结构 (2/184) 三叶草6822 2009-03-19 2009-03-24 09:47:17 by 老虎大王
[Siesta& ] 求助：ATK 入门问 (2/240) 小小金书签 2009-03-21 2009-03-23 22:02:19 by 小小金书签
[MS] 【求助】MS可以做这种计算吗 (4/386) sdzll 2009-03-17 2009-03-23 19:18:56 by qasd
[MS] 有没有用dmol做LDOS的，想请教一下该怎么整，我现在只能画出PDOS (评阅-2) (5/594) yanhp8815 2009-03-22 2009-03-23 17:31:50 by xiaoboy185
[MS] 【讨论】体系的电荷问题 (1/125) jieweiwei 2009-03-22 2009-03-23 16:33:53 by Dream-weaver
【求助】计算速度的问题 (4/352) 小木虫503 2009-03-19 2009-03-23 16:15:52 by wanggq04
[MS] 【求助}非限制性方法计算团簇最外层分子轨道的问题 (0/79) hudu520 2009-03-23 2009-03-23 15:59:06 by hudu520
[Vasp&Me ] vasp OUTCAR (评阅-2) (3/623) gavinliu7390 2009-03-20 2009-03-23 15:14:56 by gavinliu7390
[MS] 求助关于电荷布局数的问题 (0/153) yinsong810 2009-03-23 2009-03-23 14:50:30 by yinsong810
[Wien2k& ] 【讨论】13500元的服务器！！！    ( 1 2 ) (14/907) Wanghui6383 2009-03-21 2009-03-23 13:30:47 by tjpm
[MS] MS求助 关于分波态密度的问题 (0/182) 050610727 2009-03-23 2009-03-23 11:49:22 by 050610727
[QE(Pwsc ] Pwscf 能否对non-collinear magnetic 磁序 用berry phase 计算电极化 (0/172) xwyan 2009-03-23 2009-03-23 11:38:35 by xwyan
[MS] 请高手指教晶面能计算 2 (1/172) 学员QEy9Mj 2009-03-23 2009-03-23 11:30:33 by zwprxiantao
[Vasp&Me ] [求助]画charge density图时Iso-surface value改如何设置 (3/608) ustbmars 2009-03-21 2009-03-23 10:53:58 by cbFeng200881
[MS] 求助 MS版权 (1/205) sss3012 2009-03-22 2009-03-23 09:52:05 by saitou
[Wien2k& ] 【求助】Wien2k计算弹性常数的问题 (3/308) shxincui518 2009-03-22 2009-03-23 09:35:37 by shxincui518
[MS] 【求助】CASTEP 的授权帮助 (0/136) chengshuang2178 2009-03-22 2009-03-22 22:48:57 by chengshuang2178
【求助】linux系统    ( 1 2 ) (15/763) chzhmei 2009-03-03 2009-03-22 21:18:11 by tjpm
【求助】请高手们解决个问题    ( 1 2 ) (13/1147) liyiming9380 2009-03-20 2009-03-22 14:40:13 by snoopyzhao
[MS] 求助dmol中计算PDOS (0/203) yanhp8815 2009-03-22 2009-03-22 10:26:47 by yanhp8815
[MS] 讨论 如何购买正版的MS软件 (3/512) sss3012 2009-03-21 2009-03-22 09:46:11 by madonion
[MS] 【求助】MS4.4版本里的平衡模块怎么不能用啊！ (3/244) rjcdoudou 2009-03-18 2009-03-22 09:32:40 by rjcdoudou
[MS] 初学MS，有几个问题请教 (评阅-2) (2/181) xiongxiong5712 2009-03-21 2009-03-22 08:01:48 by xiongxiong5712
[MS] 【求助】能带结构的解释 (0/286) idoldog 2009-03-21 2009-03-21 23:50:14 by idoldog
[MS] 【求助】“溢出”---什么意思？ (2/157) mcy01 2009-03-20 2009-03-21 23:42:43 by saitou
[Wien2k& ] [求助]wien2k user's guide 上TiC的例子的一个问题    ( 1 2 ) (11/730) mzgnjust 2009-03-12 2009-03-21 21:32:04 by nright
[MS] 【讨论】电子不配对的问题 (3/232) jieweiwei 2009-03-18 2009-03-21 20:32:15 by jieweiwei
【求助】有关在远程linux服务器安装pwscf问题 (8/645) cheapskate 2009-03-21 2009-03-21 19:34:09 by cheapskate
[MS] [求助]蒙脱土建模 (评阅+3) (2/212) wanghuacai 2009-03-18 2009-03-21 19:00:20 by fyz_ok
[MS] [求助]关于Amorphous Cell Construction (0/243) jianchaoyv 2009-03-21 2009-03-21 16:36:47 by jianchaoyv
[Abinit] 【分享】ABINIT快速上手10步 (评阅+4) (6/1107) zxzj05 2009-02-14 2009-03-21 15:57:07 by zxzj05
[MS] 已过期…… (0/100) greer 2009-03-21 2009-03-21 15:44:35 by greer
[MS] [求助]MS中Forcite模块的问题 (2/217) jianchaoyv 2009-03-14 2009-03-21 11:20:03 by pumf
[Siesta& ] 【求助】ATK计算出错 (3/286) xiekf1985 2009-03-18 2009-03-21 09:55:02 by xiekf1985
[MS] 【求助】八核工作站dmol3不显示进程 (7/500) zyj8119 2009-03-17 2009-03-20 23:38:26 by zdhlover
[MS] 【分享】针对hongchen973 所提问题，探讨一下在linux平台下ms使用技巧 (7/617) yhlllf 2009-03-11 2009-03-20 22:27:14 by zdhlover
[MS] 求助：为什么MS3.2不能远程？ (0/44) duoruimi 2009-03-20 2009-03-20 22:13:52 by duoruimi
[Siesta& ] 有关小木虫Siesta&ATK的QQ群75416435修改群名片奖励专贴！ (2/84) zdhlover 2009-03-07 2009-03-20 22:04:48 by 秋猫
[Vasp&Me ] 【讨论】关于ISEAM=-1的问题 (评阅-2) (0/82) wzyong123 2009-03-20 2009-03-20 21:02:22 by wzyong123
[求助]vasp分子动力学模拟的原子驰豫过程用什么软件可以显示？ 2 (7/938) leongxf 2008-10-14 2009-03-20 18:16:26 by wuchenwf
[Vasp&Me ] 【求助】动态结构因子，声子谱与构型熵的联系 (0/197) ustbmars 2009-03-20 2009-03-20 16:28:50 by ustbmars
[MS] 【讨论】请问用MS可以直接给出单个晶胞包涵的原子个数吗 (6/587) li_xinjiang 2009-03-20 2009-03-20 15:32:08 by li_xinjiang
[MS] 【求助】DMOL3怎样去掉image (0/140) frogwoman 2009-03-20 2009-03-20 14:55:28 by frogwoman
[MS] 【求助】费米能级的大小 (9/1251) jieweiwei 2009-03-17 2009-03-20 13:14:48 by xiaofeiyu0
【求助】构建vasp需要多少资金？    ( 1 2 3 ) (24/1522) martin7 2009-02-23 2009-03-20 12:37:57 by tjpm
[MS] [求助]关于Discover的应用问题 (2/224) fspdlh 2009-02-16 2009-03-20 09:50:01 by fspdlh
[MS] 【求助】头疼，在MS如何设置PAW-SP-GGA+U (4/940) nicholasyp 2009-03-19 2009-03-20 08:13:39 by wuli8
[MS] [求助]怎样提交任务到服务器上? (1/170) jianchaoyv 2009-03-19 2009-03-19 18:39:11 by yhlllf
[Abinit] 【求助】abinit计算材料弹性模量 (3/726) 暴风雪8788 2009-01-08 2009-03-19 16:54:56 by xiaoxue7002
[请教] 大家计算vasp的集群都是采用什么网络架构? (9/1090) ustbmars 2009-02-13 2009-03-19 16:42:18 by nkleof
[MS] 【求助】MS中sorption模块中被吸附的分子能带电荷吗？ (1/479) Dream-weaver 2009-03-19 2009-03-19 16:03:35 by ghcacj
【求助】Amorphous Cell构建系统出错 (5/923) rjcdoudou 2009-03-19 2009-03-19 15:38:37 by rjcdoudou
[MS] 【求助】求解CASTEP审稿意见回复 (8/885) zhxd86 2009-03-18 2009-03-19 14:48:13 by zhxd86
【分享】再上传一个iptables的文档 (1/69) tjpm 2009-03-19 2009-03-19 12:41:21 by tjpm
[Abinit] 【求助】哪个地方可以下载ab initio 这个软件？ (4/692) frank_zhan 2009-02-25 2009-03-19 12:24:56 by tjpm
[MS] 【求助】02分子结构优化出错 (2/181) s638638 2009-03-19 2009-03-19 11:40:11 by s638638
求助MS建模时O2（氧分子）的晶格常数及位置 2 (1/414) chuyong 2009-03-19 2009-03-19 10:52:31 by yzcluster
[求助] 关于晶胞优化！急！ (6/759) zjy1818 2009-03-14 2009-03-19 09:20:18 by yangkunspace
[MS] 求助:castep问题 (1/211) xuyanyang 2009-03-18 2009-03-19 09:13:41 by yangkunspace
[MS] 要读那些书, 才能写出在vasp中能并行计算的程序?    ( 1 2 ) (评阅-2) (12/888) ilovexiaomucun 2009-03-18 2009-03-19 08:54:06 by acridine
[MS] 求助dmol3中怎样能够求得最终频率 (0/113) 徐亮8090 2009-03-19 2009-03-19 08:29:41 by 徐亮8090
[MS] 【求助】Castep能进行DFT+U计算吗？    ( 1 2 ) (10/872) justinjlc 2009-03-16 2009-03-19 08:28:09 by nicholasyp
[MS] 【讨论】布局数分析 (5/1850) qli0218 2009-03-16 2009-03-19 07:24:20 by qli0218
【求助】CASTEP分析 (3/462) nicholasyp 2009-03-18 2009-03-19 03:36:36 by nicholasyp
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