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[热点] 申博自荐 2篇一区TOP+1篇EI+2公开发明专利 2027博士申请 小小阿光 2026-11-03 刚刚
[Siesta& ] 【求助】Atomic Simulation Environment的安装 (4/1422) shrek826 2010-05-31 2010-05-31 21:14:08 by shrek826
[其他] 【其他】i7 930 Vs 1090T (0/208) zjuer 2010-05-31 2010-05-31 20:29:44 by zjuer
[Vasp&Me ] 【求助】请问一下,我用VASP算SmFe磁性出现错误是什么原因? (6/1838) aasan 2010-05-31 2010-05-31 18:58:36 by y1ding
[Vasp&Me ] 【求助成功】echo $i $E >>comment为什么comment里只出现i呢? (7/1359) cenwanglai 2010-03-26 2010-05-31 18:11:07 by 小木虫于
[其他] 【求助】声子谱的计算速度    ( 1 2 ) (11/2566) newton3915 2010-05-28 2010-05-31 16:14:37 by xirainbow
[Vasp&Me ] 【求助】如何分析态密度中的赝能系 (2/552) yangfangwi 2010-05-30 2010-05-31 16:10:41 by yangfangwi
[MS] 【求助】求教高手:Dmol中怎样加自然键轨道计算? (2/492) lwg020810 2010-05-31 2010-05-31 16:04:15 by wanfei
[QE(Pwsc ] [专家] 【求助】求人给个vc-md的模版 (4/984) dxcharlary 2010-05-26 2010-05-31 14:19:15 by goldenfisher
[Vasp&Me ] 【求助】请问一下,如果要计算非晶材料 (3/2091) aasan 2010-05-31 2010-05-31 12:48:26 by valenhou001
[MS] 【求助】关于团簇配位数的问题 (2/869) liujie5631 2010-05-31 2010-05-31 11:18:40 by 163.com
[MS] 【求助】如何连服务器算castep的弹性系数 (评阅+1) (1/374) dyh753357 2010-05-31 2010-05-31 11:17:58 by zzy870720z
[MS] 【求助】那位虫友能否帮忙看看MS安装目录下有没有这个文件 (5/1281) h2o_360 2010-05-30 2010-05-31 10:06:39 by h2o_360
[MS] 【求助】甲烷在表面上的活化动画 (6/866) sheskybird 2010-05-28 2010-05-31 08:52:34 by sheskybird
[MS] 【求助】最高占据轨道是五重简并的Hu 轨道是什么意思呢 (1/1268) zsl_321123 2010-05-31 2010-05-31 08:39:01 by zsl_321123
[其他] 【求助】请教:为什么铁磁可以是金属态,而反铁磁却不可以 (5/1377) renrenhao 2010-05-14 2010-05-31 08:35:10 by renrenhao
[Vasp&Me ] 【求助】怎样用VASP计算反应速率常数 (8/5218) yuer7133 2010-05-29 2010-05-30 19:06:53 by fanchen021
[Vasp&Me ] 【求助】vasp编译 OFLAG (7/2900) 小木虫于 2010-05-30 2010-05-30 17:54:47 by 小木虫于
[MS] 【求助】关于相分离模拟 (0/320) h2o_360 2010-05-28 2010-05-30 17:16:10 by h2o_360
[MS] 【求助】准静态拉伸 (3/830) Tower.Tsu 2010-05-28 2010-05-30 16:03:24 by Tower.Tsu
[MS] 【求助】Dmol计算的频谱是红外谱还是拉曼谱 (5/1383) shengfengyu 2010-05-30 2010-05-30 15:56:19 by aaq2800
[MS] 【求助】请教画能带的问题,有大红包赠送!    ( 1 2 3 ) (20/2527) g_xq96 2010-05-11 2010-05-30 11:58:33 by fly_zhanglei
[Vasp&Me ] 【求助成功】DOSCAR和OUTCAR中没有态密度 (6/1427) Prettyswan 2010-05-26 2010-05-30 11:31:02 by Prettyswan
[MS] 【求助】DMol计算的频谱能对应红外或者拉曼谱吗? (1/426) shengfengyu 2010-05-27 2010-05-30 10:14:00 by shengfengyu
[Vasp&Me ] 【求助】用vasp如何计算吸附能 (5/3398) 小木虫于 2010-05-29 2010-05-30 00:18:48 by 163.com
[Vasp&Me ] [关贴]【转帖】vasp入门【链接】 (3/884) 163.com 2010-05-29 2010-05-30 00:13:27 by 163.com
[MS] 【求助】用dmol3优化后输出文件中这段话什么意思? (3/722) lovepei 2010-05-21 2010-05-29 22:18:23 by zhaicatty
[Vasp&Me ] 【求助】ISMEAR=0时Energy取值? (5/1168) ddang100 2010-05-26 2010-05-29 20:57:17 by 含草
[Siesta& ] 【求助】siesta中怎么构造B3LYP泛函【完结】 (9/2774) zhangguangping 2010-05-27 2010-05-29 20:51:03 by y1ding
[其他] 【求助】笼状结构怎么画 (4/1404) lxylxy 2010-05-29 2010-05-29 20:26:43 by vasp001
[Vasp&Me ] 【求助】vasp 中模型的建立 (3/1259) 小木虫于 2010-05-29 2010-05-29 20:26:39 by cenwanglai
[QE(Pwsc ] 【求助】优化出错!    ( 1 2 ) (11/1438) B.C.Wang 2010-05-26 2010-05-29 18:13:01 by goldenfisher
[MS] 【求助】Ms不能进行计算 (2/567) lishourui111 2010-05-28 2010-05-29 13:43:36 by lishourui111
[MS] 【求助】求ms4.2windows版本下载 (2/447) redskywei 2010-05-28 2010-05-29 12:58:51 by 163.com
[热点前沿 ] 【求助】请教一个问题 (2/654) jifei19830808 2010-05-05 2010-05-29 11:47:05 by s20080718
[热点前沿 ] [关贴]【原创】统一理论的最基本数学方程表达 (1/655) 江一泉 2010-02-19 2010-05-29 11:46:24 by s20080718
[MS] 【求助】固液吸附再问 (8/1297) 水之源 2010-05-25 2010-05-29 09:11:00 by qasd
[MS] 【求助】关于拉曼光谱的计算 (3/1239) tmj523397981 2010-05-28 2010-05-29 09:09:25 by xirainbow
[Siesta& ] 【分享】2010年凝聚态的两个会议    ( 1 2 ) (19/1662) zhangguangping 2010-05-17 2010-05-29 08:39:21 by zhiyongwang
[其他] 【求助】phonon (0/354) newton3915 2010-05-29 2010-05-29 02:33:00 by newton3915
[Siesta& ] 【求助】ATK输运谱的意义    ( 1 2 ) (12/2759) kgdu 2010-05-24 2010-05-29 00:21:42 by 163.com
[其他] 【求助】请问服务器配置 (4/674) maccsi1206 2010-05-26 2010-05-29 00:10:02 by 163.com
[MS] 【求助】服务器远程登陆?    ( 1 2 ) (14/1228) dyk325 2010-05-21 2010-05-28 22:25:07 by dyk325
[其他] 【原创】【资源】计算模拟区区刊第二期正式发布    ( 1 2 ) (10/1819) yjcmwgk 2010-04-24 2010-05-28 15:49:26 by chensxxy
[MS] 【求助】CH4在Pd表面的运动 (2/676) sheskybird 2010-05-28 2010-05-28 13:59:04 by sheskybird
[Vasp&Me ] 【求助】求一个vasp的licence文件 (2/382) solarman 2010-05-28 2010-05-28 12:33:57 by wangzg9292
[MS] 【求助】安装MS5.0 for linux的问题,请帮忙解决    ( 1 2 ) (12/2595) snowmami 2010-05-27 2010-05-28 11:36:39 by lono75
[MS] 【求助】linux下dmol3任务失败,关于/bin/rm cannot remove the directory..... (金币≥50)(3/43) chenggong2008 2010-05-27 2010-05-28 11:33:16 by 163.com
[MS] 【求助】MS晶体建模里的分数坐标如何确定?    ( 1 2 ) (11/5386) g_xq96 2010-05-24 2010-05-28 11:29:08 by souledge
[MS] 【求助】北京科技大学的 MS 版权 (4/727) sss3012 2010-05-27 2010-05-28 11:25:20 by sss3012
[MS] 【求助】关于LDOS和差分电荷密度 (1/965) yuanfang4123 2010-05-27 2010-05-28 09:29:41 by s20080718
[Siesta& ] 【求助】双电极中心散射区设置问题 (4/1617) kaypu 2010-05-27 2010-05-28 07:53:09 by kaypu
[Siesta& ] 【求助】Au与Au之间的距离 (4/1460) wangrenni 2010-05-26 2010-05-27 22:34:38 by dawnlight
[Siesta& ] 【求助】自由π 电子 (4/819) wangrenni 2010-05-25 2010-05-27 22:31:53 by dawnlight
[其他] 【求助】国内团簇方面的专家 (4/908) 徐亮8090 2010-05-18 2010-05-27 21:03:49 by stractor
[MS] 【求助】MS计算出错,求教高人指点 (0/272) liuhongge1 2010-05-27 2010-05-27 20:05:32 by liuhongge1
[MS] 【求助】谁是厦大的,用MS的? (9/942) xuexue9990 2010-05-24 2010-05-27 19:04:35 by 04nylxb
[MS] 【求助】晶体结构随温度的变化计算 (8/2116) hedonistful 2010-05-26 2010-05-27 18:52:08 by valenhou001
[MS] 【求助】怎么输入函数或者参数? (3/1030) yuanfang4123 2010-05-24 2010-05-27 18:01:36 by acridine
[Vasp&Me ] 【求助】单个C原子能量是否正确 (4/1390) vaspnew 2010-05-22 2010-05-27 17:08:01 by shalier
[MS] 【求助】Dmol3虚频的问题 (2/472) 安芝拉 2010-05-27 2010-05-27 16:23:22 by 安芝拉
[Vasp&Me ] 【求助】远程控制VASP (2/583) qnsyhanjiu 2010-05-27 2010-05-27 16:12:59 by lono75
[Vasp&Me ] 【求助成功】vasp计算的问题 (3/703) rdw00 2010-05-27 2010-05-27 16:08:39 by lono75
[Siesta& ] 【求助】关于ATKError: inverse(DZMatrix const &) : Could not LU factorize! (2/685) zhzailan 2010-05-01 2010-05-27 15:57:46 by 163.com
[Vasp&Me ] 【求助】确定了声子的软模,如何寻找稳定结构? (9/3690) dxp5380 2010-05-21 2010-05-27 15:10:49 by YQchern
[其他] 【求助】晶体场分裂能和Jahn-Teller能的区别 (1/752) lmcr 2010-05-27 2010-05-27 13:58:48 by yzcluster
[MS] 【其他】初学者 (1/407) 天天人间 2010-05-26 2010-05-27 11:25:46 by cenwanglai
[MS] 【求助】求一个material studio最新版的下载链接    ( 1 2 ) (13/4090) rain841230 2009-09-10 2010-05-27 10:53:05 by 秒儿7815
[Vasp&Me ] 【求助】vasp在集群上如何安装 (3/1416) qnsyhanjiu 2010-05-26 2010-05-27 09:27:43 by chensxxy
[Vasp&Me ] 【求助】handson算例 (5/1059) zhangkun7581 2009-12-08 2010-05-27 08:15:57 by quby7503
【求助】Pd优化遇到的问题 (金币≥10)(2/25) liangziguangxue 2010-05-23 2010-05-27 08:14:50 by 163.com
[Vasp&Me ] 【求助】求画能带,态密度,电荷密度的脚本 (2/941) 学员UKbkc5 2010-05-26 2010-05-27 08:04:43 by 163.com
[Abinit] 【求助】请教:ABINIT中的PAW赝势怎么获取? (8/2499) identation 2010-01-23 2010-05-26 23:20:54 by identation
[MS] 【求助】怎么在MS里建立一个类似季铵盐的离子型结构 (4/847) linldq 2010-05-11 2010-05-26 21:14:18 by pumf
[MS] 【求助】Dmol计算问题 (2/471) 278036903 2010-05-25 2010-05-26 20:53:48 by 278036903
[其他] 【求助】低浓度掺杂    ( 1 2 ) (10/3284) laohaoren2802 2010-05-25 2010-05-26 20:53:36 by 锐利的碎片
[QE(Pwsc ] 【求助】运行出错!    ( 1 2 ) (10/1975) B.C.Wang 2010-05-26 2010-05-26 19:43:34 by goldenfisher
[MS] 【求助】关于态密度的问题 (3/939) yangkunspace 2010-05-26 2010-05-26 17:18:26 by yangkunspace
[Vasp&Me ] 【求助】LAPACK: Routine ZPOTRF failed! 67 (1/2098) gleerat 2010-05-26 2010-05-26 14:26:18 by Prettyswan
[Vasp&Me ] 【求助成功】ISMEAR=1比=0需要更多空能带? (2/427) cenwanglai 2010-05-25 2010-05-26 13:34:58 by valenhou001
[MS] 【求助】Dmol性质计算如何选择任务 (2/379) shengfengyu 2010-05-25 2010-05-26 11:28:02 by shengfengyu
[MS] 【求助】自旋极化如何选择? (8/2874) shengfengyu 2010-05-24 2010-05-26 11:25:53 by shengfengyu
[MS] 【求助】MS4.4在REDHAT5.0集群上安装出错,附步骤,望高手指正    ( 1 2 ) (16/3050) wangtingyun 2010-04-21 2010-05-26 10:29:32 by yangkunspace
[MS] 【求助】ZnO纳米管键长是否要优化 (6/1156) shengfengyu 2010-05-25 2010-05-26 10:02:52 by s20080718
[MS] 【求助】实空间还是倒异空间 (6/1609) 随心意 2010-05-25 2010-05-26 09:21:30 by 随心意
[MS] 【求助成功】磁性单位问题 (6/1166) dzhijie 2010-05-25 2010-05-26 08:08:03 by dzhijie
[MS] 【求助】discover非扶手椅型cnt 端口碳处理 (1/264) 574384607 2010-05-25 2010-05-26 08:02:45 by 574384607
[MS] 【求助】在线等如何用castep计算材料在高压下的性质 (3/1219) btvipvip 2010-05-24 2010-05-25 23:17:59 by btvipvip
[MS] 【求助】计算表面能 (8/1500) cosmicking 2010-05-20 2010-05-25 21:41:28 by cosmicking
[MS] 【求助】态密度 (1/520) newton3915 2010-05-25 2010-05-25 20:53:43 by s20080718
[Vasp&Me ] 【求助】lattice dynamics calculation (1/306) mermaid1128 2010-05-25 2010-05-25 20:07:33 by valenhou001
[Vasp&Me ] 【求助】请达人帮我解释一下这个INCAR (7/1894) aasan 2010-05-24 2010-05-25 19:33:14 by xycqy
[其他] 【求助】关于BoltzTrap的讨论 (2/598) duanyan 2010-05-25 2010-05-25 18:54:36 by duanyan
[MS] 【求助】Castep    ( 1 2 ) (11/1983) lhjms 2010-05-23 2010-05-25 16:35:11 by lhjms
[其他] [关贴]【求助】PDF转WORD (金币≥10)(1/56) 我是七夜 2010-05-25 2010-05-25 16:08:06 by liufengbao100
[MS] 【求助】四核的机器 如果要计算80-90个原子的体系 需要多大内存? (9/2126) kpsong 2010-05-23 2010-05-25 15:31:33 by Yelong_Wu
[QE(Pwsc ] 【求助】优化时部分原子固定 (1/878) B.C.Wang 2010-05-25 2010-05-25 15:29:17 by 子虚乌有5388
[Vasp&Me ] 【求助】SnO2的带隙 (3/1771) bingmou 2009-12-28 2010-05-25 14:08:36 by 274273
[QE(Pwsc ] 【求助】单位换算 (6/1138) B.C.Wang 2010-05-25 2010-05-25 13:15:47 by westmonster
[热点前沿 ] 【求助】振动频率的分析 (0/385) hexx621 2010-05-25 2010-05-25 10:48:29 by hexx621
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