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[热点] 天津工业大学郑柳春团队欢迎化学化工、高分子化学或有机合成方向的博士生和硕士生加入 hubeizlc 2025-12-06 刚刚
[Vasp&Me ] 【原创】通过CASTEP产生POSCAR文件【已搜索“CASTEP”+“POSCAR”,无重复】 (20/3480) xujc1983 2009-06-09 2012-05-10 14:23:44 by rainxin2008
[资源] 2011年7月德国柏林第一性原理讲稿下载 (33/3086) fineday8815 2012-02-22 2012-04-24 20:20:48 by franch
[Vasp&Me ] 精华I【分享】VASP程序源代码[vasp-source-4.6.20]. (43/9064) zhaohscas1976 2009-05-09 2012-04-05 19:23:52 by rainxin2008
[其他] 【分享】ebook_Relativistic Quantum Chemistry 两本精华纳米盘下载 (27/353) gaofree 2009-08-22 2012-03-27 10:47:42 by wzjk
[其他] THOMAS YOUNG CENTRE采访MATTHIAS SCHEFFLER时对话录 (8/1644) valenhou001 2012-03-26 2012-03-27 10:21:52 by ellsaking
[Abinit] abinit 6.12.1版本 (3/1855) lindlar0078 2012-02-05 2012-03-21 20:48:38 by vv_china
[Vasp&Me ] 【原创】收敛测试! (15/2939) xbelinda 2009-12-23 2012-03-09 06:23:51 by flymice
[Vasp&Me ] [关贴]【分享】2010年4月9日科大宏剑培训Medea 2.4 manual (14/1989) cenwanglai 2010-04-09 2012-03-07 19:36:03 by cenwanglai
[资源] MS6.0新鲜出炉(非软件) (4/1051) hanpeng972 2012-03-02 2012-03-04 07:50:42 by Quan.
[Vasp&Me ] VASP输入文件的准备工具: vasp scripter (8/2694) valenhou001 2012-01-05 2012-02-17 19:53:56 by gfei2008
[热点前沿 ] 【原创】MIT材料模拟课件中文版 (13/521) 锐利的碎片 2010-06-04 2012-02-13 16:26:30 by yinketao
[Vasp&Me ] 【分享】vasp2cif.f90 for vasp5.2 (4/1787) lightgjx 2010-11-30 2012-02-13 10:43:52 by wujiandongde
[资源] ALPS project (0/600) cavediger 2012-02-04 2012-02-04 19:18:45 by cavediger
[Vasp&Me ] 精华I【原创】用GaussView可视化VASP的结构优化过程 (26/5841) neweroica 2010-01-13 2012-01-29 18:39:23 by 独唱团
[资源] NONEQUILIBRIUM QUANTUM TRANSPORT PHYSICS IN NANOSYSTEMS (11/553) cavediger 2011-11-01 2012-01-04 12:51:39 by liyuan0306
[资源] 石墨烯(graphene) (4/2177) xylz6188 2011-12-15 2011-12-16 18:50:32 by 亚楠
[资源] 量子输运理论和纳米电子学模拟国际研讨会暨第一届量子输运模拟讲习班资料下载 (4/2219) dcbb0217 2011-08-20 2011-12-05 16:31:29 by 小蝌蚪哦哦
[Abinit] 【分享】借助MS建立abinit结构文件 (37/8505) zxzj05 2009-04-28 2011-12-05 11:08:13 by liu_gang
[其他] 模守恒赝试的介绍 (7/910) 小小正钛 2011-07-16 2011-11-28 12:32:11 by suweian79
[热点前沿 ] 【分享】推荐一篇有关光学计算的文献 (6/1188) 锐利的碎片 2010-11-10 2011-11-20 11:26:01 by gongjijun
[MS] 【分享】在网上搜到的MD模拟ppt (6/615) tjufyn 2010-08-26 2011-11-17 22:34:26 by 黑暗心灵
[其他] 【分享】国外计算模拟论坛收集 (21/2122) zxzj05 2010-03-29 2011-11-17 21:33:24 by 黑暗心灵
[MS] castep最常出错原因和解决办法(已搜索,无重复,谢谢评价哦) (7/1407) guolianshun 2011-04-23 2011-11-16 20:42:59 by bingxing
[其他] 【分享】An introduction to the theory of metal surfaces (14/1424) valenhou001 2010-08-22 2011-11-05 11:00:16 by lrjhxh
[热点前沿 ] 【分享】自旋电子学简介 (8/1201) dlthl 2010-12-13 2011-11-04 10:48:14 by hjy66958
[QE(Pwsc ] 精华I【分享】精华资源奉献:意大利国际高级教育研究院(SISSA)历年博士论文!    ( 1 2 ) (51/5951) goldenfisher 2010-04-03 2011-10-28 11:11:28 by goldenfisher
[Siesta& ] 【分享】openmpi-intelmkl-siesta3.0 并行安装--两种方式---原创 (5/1800) 贺仪 2011-03-27 2011-10-27 22:14:14 by 贺仪
[Vasp&Me ] 【分享】p4vasp for windows install.rar(30MB)    ( 1 2 ) (78/9773) oyljw 2009-06-13 2011-10-27 09:19:37 by drasgum
[资源] 分享一个网站on DFT (5/1113) howberg 2011-05-24 2011-10-09 09:29:50 by czgchd
[资源] vasp中电子局域函数ELF的资源的链接汇总 (1/3626) uuv2010 2011-10-06 2011-10-08 16:25:07 by dalongmao
[Abinit] 最新版ABINIT 6.6.3 出来啦,支持Windows 7 64位 (8/2006) lindlar0078 2011-06-16 2011-09-26 20:05:32 by nwpu2010
[QE(Pwsc ] PWSCF中安装wannier90 (4/5068) gaojin06 2011-08-01 2011-08-23 09:34:57 by huazhorg
[MS] [关贴]【分享】ms5.0安装方法(客服提供)已修改,测试可用,喜欢下载!! (29/4146) hzfish 2010-04-11 2011-08-21 10:10:57 by pipi
[Wien2k& ] 分享一个免费的计算软件EXCITING (3/1826) cupid8 2011-08-12 2011-08-12 15:41:20 by cupid8
[其他] 【分享】VESTA程序 (15/354) bingmou 2011-02-28 2011-08-09 20:15:45 by guohuazhong
[Vasp&Me ] VASP并行可执行包(含VASP Tool) (13/454) chemvasp 2011-07-13 2011-08-02 00:06:10 by dycding
[资源] QECalc (1/889) cavediger 2011-07-16 2011-07-16 20:14:20 by awmc2008
[资源] octopus TDDFT 2.1.0 (0/1541) cavediger 2011-07-16 2011-07-16 05:47:44 by cavediger
[资源] 美国物理联合会正式发布了中文网站 (1/569) beyondstar 2011-06-19 2011-06-19 09:49:12 by aaq2800
[资源] x86下最快的编译器pathscale开源了 (6/1704) beyondstar 2011-06-15 2011-06-15 16:18:21 by 风间的记忆
[Abinit] 【分享】abinit实例 (4/1393) fanny0007 2010-12-01 2011-06-10 07:23:15 by yjwyjwyjw
[其他] 【分享】表面物理导论(浙大) (19/1420) wuli8 2010-12-22 2011-03-27 23:40:14 by wuli8
[Abinit] 【分享】ABINIT中有关自旋设定的资料 (5/956) identation 2010-04-08 2011-03-17 09:10:17 by zhenfeili
[Wien2k& ] 【分享】wien2k_08b,供大家分享 (19/2032) sjzxbe 2010-01-28 2011-02-21 15:03:09 by yankai131
[MS] 【分享】5.12创腾MS高分子材料培训 专题讲座二[视频]    ( 1 2 ) (53/1428) simone389 2009-05-12 2011-01-10 09:42:46 by zhangxixi1
[Siesta& ] 【分享】学习ATK的说明书ATK_VNL2008.10.0 (6/876) qnsyhanjiu 2010-10-12 2011-01-05 00:10:07 by cg陈
[MS] 【原创】MS初级班讲义修改意见 (24/3163) flymice 2010-12-22 2011-01-01 00:40:20 by xjxj1xjxj
[MS] 【分享】09.06 使用materials studio发表的文章,有链接,方便下载 (48/4415) dali2006 2009-09-14 2010-12-22 23:35:30 by cg陈
[MS] 【分享】量化软件中的基组简介 (11/1700) study163 2009-04-22 2010-12-15 08:57:10 by 562931235
[其他] 【分享】下载:Crystal06 for Linux AMD64 and EM64T (9/1085) beefly 2010-08-25 2010-12-15 00:23:51 by ice_rain
【分享】嵌入式linux性能详解 (7/695) sino_rui 2009-10-21 2010-12-05 14:55:09 by sunyang1988
[MS] 【求助】第一性原理中原子礠钜怎么求? 谢谢 (8/664) dongmei2008 2010-10-27 2010-12-02 16:05:48 by dongmei2008
[QE(Pwsc ] 【原创】openmpi,intel编译器下yambo的安装过程 (4/233) 锐利的碎片 2010-11-25 2010-12-02 10:16:40 by sg18408926
[Siesta& ] 【分享】POST view文件 (4/743) fanny0007 2010-12-01 2010-12-01 14:18:17 by zhangguangping
[Siesta& ] 【原创】siesta 3.0成功编译的arch.make (26/4824) zxdai 2009-10-06 2010-11-22 16:39:43 by dalongmao
[其他] 【求助】预测晶体结构的文献 (1/359) luqianshan 2010-11-04 2010-11-04 17:05:10 by y1ding
[Siesta& ] 【原创】cif2fdf: 把cif文件转换成适合fdf输入文件的小工具 (7/1569) freewain 2010-10-07 2010-10-28 09:17:44 by freewain
[Vasp&Me ] 【分享】关于VASP计算的PPT (12/1508) guolianshun 2010-09-26 2010-10-21 21:23:39 by whyyzf5725
[MS] [关贴]【分享】MS中文帮助文件 (4/1135) navyzhang 2010-10-19 2010-10-20 09:52:27 by liujuan8704
[MS] 【转帖】转一个做classical MD的很好的网站 (1/239) enola 2010-10-17 2010-10-17 19:31:28 by aylayl08
[MS] [关贴]【分享】ICSD数据库2008版 (2/1649) agnes18 2010-10-17 2010-10-17 17:49:31 by aylayl08
[MS] [关贴]【分享】Dmol-分子轨道理论及分析方法 (1/727) qnsyhanjiu 2010-10-16 2010-10-16 17:16:15 by zxzj05
[MS] 【分享】朋友做得简要英文版DFT Calculations with Castep (14/1385) guolianshun 2010-09-27 2010-10-15 15:20:47 by feiyumeng
[Vasp&Me ] 【分享】如何在编译前在源代码中查找vasp的版本 (1/2410) cenwanglai 2010-10-15 2010-10-15 10:10:46 by zzy870720z
[Vasp&Me ] 【原创】vasp的POSCAR转换成cif格式程序修改版 (7/3512) cationly 2009-12-10 2010-10-06 16:32:04 by wangyujia
[Vasp&Me ] [关贴]【原创】用pgi10.0编译vasp5.2 (12/2545) guohuazhong 2010-05-03 2010-10-05 19:07:40 by 后天一
[MS] 【分享】icsd2005纳米盘地址 (21/2505) TYHB 2009-11-12 2010-09-30 10:25:21 by lilingdong
[Abinit] 精华II【分享】最新Abinit5.8.4的windows版本    ( 1 2 ) (78/6943) hanhaixf-77 2009-09-28 2010-09-27 08:50:40 by fjwmj
[MS] [关贴]【分享】MS初级教程 (2/660) ese 2010-09-22 2010-09-22 10:45:00 by zxzj05
[QE(Pwsc ] 【原创】跟头,PWSCF对磁性体系介电常数的计算之不可行 (2/672) identation 2010-09-11 2010-09-20 20:03:33 by robet1991
[MS] 【转帖】Materials Studio5.0中的新技术 (28/6490) zzy870720z 2009-11-03 2010-09-20 18:25:42 by cuphunter
[Abinit] 【分享】量子化学从头计算方法 (7/1619) alan8410 2009-10-13 2010-09-04 21:05:30 by laxlax999999
[其他] 【分享】Üstünel的Principles of Density Functional Theory的讲义 (20/2280) valenhou001 2010-07-30 2010-08-28 06:34:51 by wjhwoods
[Vasp&Me ] 【原创】vasp manual 网页版的 chm :-) (7/1648) hedaors 2010-06-24 2010-08-11 07:57:15 by lvjian8596
[MS] 【分享】MS模拟聚合物链之间的相互作用【已搜无重复】 (4/1024) beyondboyy 2010-01-18 2010-07-18 09:17:39 by 紫鱼天堂
[MS] 【原创】关于castep中的.check文件总结 (13/3579) wuli8 2010-06-02 2010-07-12 19:23:32 by guifan
[热点前沿 ] 【分享】【转】量子计算机准确算出氢分子能量 (10/1906) xiaowandouer 2010-01-16 2010-07-08 09:21:52 by gongchangjie
[其他] 【分享】Springer, 2007 Quantum Chemistry of Solids[无重复] (5/958) gaofree 2010-05-15 2010-07-04 08:07:23 by wanglianli136
[Vasp&Me ] 【原创】在direct和cartisian坐标之间转换的小程序 (6/2080) gump_813276 2010-06-11 2010-06-12 12:55:16 by cenwanglai
[Siesta& ] 【原创】ATK-SEwindows版本下载 (12/1697) zhfuchun 2010-01-12 2010-06-08 16:37:51 by fdtdpc
[其他] 【分享】vasp 计算 (2/437) qnsyhanjiu 2010-05-31 2010-05-31 20:10:35 by 哥是传说
[Vasp&Me ] 【原创】Linux script cell2poscar.new for MS.cell to POSCAR (2/1099) cenwanglai 2010-04-30 2010-05-08 21:37:54 by sg18408926
[其他] 【原创】Ubuntu 9.04下MPICH2集群搭建 (8/1699) enola 2010-03-20 2010-05-08 00:08:23 by anhui_dali
[MS] 【分享】TLF-SOFT-Accelrys.Materials.Studio.v5.0.PROPER-ZWTiSO (10/371) nanoseer 2010-03-27 2010-04-26 15:20:43 by zzjaigs
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