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[热点] 康复大学泰山学者周祺惠团队招收博士研究生 北斗星空cxh 2025-12-05 刚刚
[Wien2k& ] 用wien2k计算反铁磁详细步骤,举例说明! (12/4320) gzqdyouxia 2011-06-21 2015-11-07 16:22:59 by 典韦123
[Vasp&Me ] 关于 VASP 的编译经验分享 (16/4735) gyty 2013-06-15 2015-10-07 13:45:12 by Ireson
[Vasp&Me ] 【原创】材料计算常用网站和FTP (38/1090) wo8165827 2010-01-05 2015-09-29 18:44:38 by rdwjf
[资源] 曙光集群管理-作业调度 (27/1870) zxg_far 2012-04-12 2015-09-27 08:09:50 by annewell2008
[MS] 00 (30/2346) sunyiqiang09 2015-04-08 2015-09-20 17:27:25 by hhbingf
[Wien2k& ] [专家] ELK发布1.4.5了 (17/3093) souledge 2012-01-03 2015-09-16 07:20:15 by dododogogogo
[资源] STATE-Senri的英文手册 (6/1412) valenhou001 2012-01-20 2015-09-06 10:06:29 by muxinjin
[资源] gaussview4.1.2 drawing software (11/1011) lbing9002 2012-07-05 2015-09-05 08:07:09 by 李辉。
[QE(Pwsc ] 【原创】写了个集群下应用测试K点或截断能的脚本 (18/3640) zhang668 2010-10-24 2015-09-02 13:37:34 by 微6凉
[Vasp&Me ] [VASP编译]一 什么是.so文件、.a文件? (11/2652) dxf_dxf_dxf 2012-04-05 2015-08-30 19:20:23 by 峰哥在北京
[资源] 有关Walter Kohn的故事集 (12/1086) valenhou001 2012-01-13 2015-08-03 07:15:31 by rdwjf
[Siesta& ] 关于石墨烯双氢饱合的脚本-Sp3(基于ATK官网脚本改写) (2/586) dagewane63 2013-12-27 2015-07-27 19:59:57 by luoying1
[资源] 关于声子问题 (20/1375) liusj0228 2014-12-08 2015-07-16 17:04:21 by 1173149197
[Siesta& ] One Cracker for 11.2.3 (13/1126) zhangguangping 2012-02-28 2015-07-13 08:14:18 by onion2440
[Vasp&Me ] 网上Cif 转 POSCAR (4/2124) babaleo 2013-01-09 2015-07-07 20:38:33 by vasp001
[其他] 【分享】分子模拟讲义-陈正隆 (12/1587) hongchen973 2009-04-30 2015-07-06 13:35:47 by lareina1
[MS] MS 6.1 for Windows and Linux 百度网盘+++更新lic (29/4185) truemantwo 2013-02-25 2015-04-21 03:08:01 by ljzhou86
[MS] Materials Studio 6.0 快要发布了,beta的介绍【已搜索,无重复】    ( 1 2 ) (62/3564) xujc1983 2011-11-23 2015-04-17 06:00:37 by rsbc2013
[MS] 几分非常经典的有关关联势的文献 (0/427) phydongchen 2015-03-27 2015-03-27 22:39:22 by phydongchen
【分享】vasp装机必备软件 Fortran9.1.036源代码及license文件 (31/4283) abcasi 2009-09-12 2015-03-27 13:45:37 by elijah李晓航
[其他] 精华III【分享】赝势理论讲座PPT(作者是超软赝势的提出者Vanderbilt)    ( 1 2 ) (50/6887) xirainbow 2009-09-20 2015-03-23 07:36:10 by ccyccxcl
[MS] 【分享】CASTEP / MS 计算教程 (12/1379) guolianshun 2010-09-27 2015-03-22 13:20:59 by friendlyjun
[资源] 分享高清版英文固体光电量子[ Solid State and Quantum Theory For Optoelectronics]    ( 1 2 ) (84/2689) 9789074 2012-05-16 2015-02-15 18:39:46 by lin_l
[资源] Essentials_of_Computational_Chemistry电子书 (15/2256) valenhou001 2013-10-04 2015-01-15 12:48:11 by luoying1
[资源] DP code (3/669) cavediger 2012-03-06 2015-01-14 13:18:49 by 李天帮
[QE(Pwsc ] QE-PWscf计算声子谱流程。 (10/4778) amynliou 2013-03-21 2015-01-14 10:23:38 by rx93hughes
[其他] 【分享】【版庆】VASP和MS精品收藏 (32/3292) youzhizhe 2010-11-28 2015-01-07 17:12:46 by javy
[Vasp&Me ] 【分享】DOSCAR数据整理小程序 (25/3937) qli0218 2009-03-23 2015-01-06 10:10:41 by zplou
[MS] 分享:Windows 7 (64位) 单机并行安装方法 (24/2246) jphuang_63 2011-11-14 2014-12-23 06:50:32 by cipher001
[MS] 关于CASTEP软件“固定体积”优化的探讨! (11/3670) sunboyccc 2013-12-02 2014-12-22 14:30:20 by Tonisam
[MS] 【原创】(总结)关于使用360优化导致MS无法使用最终解决方法 (30/4654) purewater2715 2010-09-06 2014-12-16 06:41:22 by xb490284223
[资源] 改进的搜索鞍点的dimer方法 (6/787) hakuna 2014-12-04 2014-12-12 21:10:06 by seaso
[Siesta& ] 介绍ATK 13.8新功能的四个视频 (10/2027) valenhou001 2013-11-28 2014-11-29 07:46:28 by valenhou001
[资源] 凝聚态物理    ( 1 2 ) (50/3340) 杨寻 2011-11-08 2014-11-09 18:23:17 by 流年水
[MS] MS5.5forwindows版本下载(含有licence) (11/1104) fy251236750 2013-02-28 2014-11-06 08:03:22 by 山本乙烯
[MS] 【转帖】CASTEP中光学计算问题与原理 (系列三)    ( 1 2 ) (56/1906) simone389 2009-05-16 2014-10-27 17:12:21 by tsglss
[Vasp&Me ] 【分享】一个将CASTEP的.cell文件转换为POSCAR的简单脚本 (12/2743) 小虫009 2009-12-04 2014-10-20 06:58:05 by fegg7502
[MS] [专家] 【分享】做PDOS图 (2/2327) souledge 2011-03-25 2014-10-12 18:42:45 by woxiaojian
[资源] Atomic Scale Characterization and First-Principles Studies of SiN Interfaces (27/1543) wenke1526 2011-12-05 2014-10-07 18:07:14 by jinpengfei
[资源] VASP XCrysDenPWscf 单机安装教程(linux) (12/5065) gkf高 2012-04-04 2014-09-29 16:04:10 by onion2440
[其他] EXCITING的简单说明书 (7/1012) gclai 2014-09-25 2014-09-29 15:16:45 by fshadow
[资源] libstdc++5编译器,32位的,装vasp用的,好不容易找到的 (1/481) 甲斐之虎 2013-07-29 2014-09-28 08:48:31 by 高朋满座007
[其他] 【分享】在线电子结构计算数据库 (22/2716) valenhou001 2010-08-24 2014-09-03 12:21:31 by jizw0704
[资源] 综述:Challenges for Density Functional Theory    ( 1 2 3 ) (130/4185) dwma 2011-12-24 2014-08-25 15:59:18 by 火神的右耳
[热点前沿 ] 2012年度世界创新报告,包含12个关键技术领域及创新情况    ( 1 2 3 ) (101/4637) lq6865387 2013-11-15 2014-08-22 10:34:27 by liangpei
[Abinit] 2007年和2011年两次International ABINIT Developer Workshop 相关资料    ( 1 2 ) (54/1414) lei0819 2012-04-04 2014-07-26 13:21:22 by gswylq
[Vasp&Me ] 用matlab脚本绘制vasp中的能带图 (6/4871) byin 2011-05-30 2014-07-01 17:13:38 by 白小纸bql
[资源] Properties of graphene a theoretical (29/1391) Manluzhang 2012-09-22 2014-07-01 10:56:55 by ljr03
[Vasp&Me ] 自发极化设置LCALCPOL时存在的问题 (2/1650) maomao7910 2011-07-06 2014-05-29 06:55:18 by 李天帮
[Vasp&Me ] 高温 声子谱 (3/1407) fengxuanyue 2014-05-12 2014-05-13 17:06:07 by dyc_2008
[QE(Pwsc ] [专家] 建立石墨烯(Graphene)的模型 (26/14786) souledge 2012-01-25 2014-04-17 07:13:26 by ice_burg
[MS] MS5.5在Linux上安装的经验分享 (4/1681) wjf891114 2012-03-25 2014-04-11 19:45:46 by 郝晓斌2013
[MS] 新鲜出炉的MS6.0系统要求 (25/2310) xujc1983 2011-12-22 2014-03-21 06:05:45 by zzjust
[Siesta& ] 使用gfortan,openmpi以及BLAS, BLACS, Lapack, Scalapack编译SIESTA (6/3523) zhangguangping 2014-01-16 2014-02-25 20:12:07 by wiseguy2008
[Vasp&Me ] 【分享】将VASP中CONTCAR中数据转化成JMOL可读的小程序 (4/2258) 1984mjx 2010-04-13 2014-01-26 05:18:18 by jerry007
[Vasp&Me ] 【分享】VASP安装和使用 (45/35976) 2008911 2009-09-06 2014-01-10 16:06:38 by tangcheng9
[Vasp&Me ] 精华I【分享】分享杨金龙老师在宏剑培训的PPT    ( 1 2 ) (82/9361) vasp001 2010-05-17 2013-12-10 12:31:46 by quchangrong
[Vasp&Me ] [关贴]vasp的POSCAR文件中的Direct坐标和Cartesion坐标的关系 (11/3212) 脑壳派 2013-11-20 2013-11-22 22:25:17 by ZHC_Y
[其他] [关贴]4G通信系统中OFDM技术的分析 (1/350) nukky 2013-11-08 2013-11-08 21:01:32 by nukky
[资源] 单壁碳纳米管Chiral Data up to (40,40)供查询 (7/687) fzx2008 2011-10-30 2013-11-06 12:25:25 by 我等我的爱
[Wien2k& ] ELK 2.2.1发布!!!!! (1/944) beyondstar 2013-09-21 2013-09-22 19:17:40 by gongjijun
[MS] 【资源】Materials Studio教程 (17/4692) 麻雀小妹 2009-11-13 2013-09-19 10:19:10 by 08wutianli
[QE(Pwsc ] 弹性计算有福了 (3/1796) beyondstar 2013-06-20 2013-08-26 13:11:00 by mailoliver
[其他] 2013年暑期凝聚态前沿系列讲座部分课件 (6/541) nwpu_1223 2013-08-22 2013-08-24 11:51:08 by spyan581
[资源] [关贴]各大数据库介绍及使用技巧 (3/648) infrared123 2013-08-12 2013-08-13 13:44:28 by awmc2008
[Siesta& ] 使用gfortran和openmpi并行编译SIESTA(原创) (2/2100) Birdofwander 2013-07-08 2013-07-11 13:35:31 by Birdofwander
[其他] [其他]有对DFTB感兴趣的没?贡献个ppt下载 (13/1886) madonion 2009-03-05 2013-07-08 14:31:08 by 20080890
[Siesta& ] 利用VNL-2008.10构建体系,并导出为xyz格式的方法 (7/1932) zhangguangping 2011-07-31 2013-06-27 09:58:12 by wekow
[资源] 精华I【分享】分子模拟的理论与实践_陈正隆等_2007版_化学工业出版社    ( 1 2 ) (52/5708) juejun_001 2011-03-29 2013-06-04 12:32:49 by bpingping
[Vasp&Me ] VASP5.3.2大内存崩溃的解决方案 (9/2309) y1ding 2012-11-30 2013-05-23 06:52:02 by y1ding
[资源] Relativistic Dirac Electrons in Solids ‐ Graphene Physics (27/1107) cavediger 2012-06-15 2013-04-03 09:51:35 by clark_albert
[资源] 分子模拟在环境研究领域的应用 ——反应机理、催化剂设计及气体分离” 视频 (2/667) Illusionist 2013-03-20 2013-04-01 08:23:31 by one_piece_
[资源] [关贴]一个非常不错的自学软件网站 (2/1284) huangzhfen 2013-03-10 2013-03-11 16:12:19 by chenyuchen
[Siesta& ] 【分享】Siesta ABC (8/1550) corbin 2010-07-13 2013-02-08 13:11:00 by whyyzf5725
[资源] 材料计算科研网站导航 (2/884) liuziran 2013-02-03 2013-02-05 07:12:46 by Quan.
[Wien2k& ] 获取空位DOS的方法 (4/1036) zhylimin1979 2012-03-29 2013-01-25 17:27:23 by xiaoyukaka
[MS] [专家] 【原创】在Fedora下安装Materials Studio 4.3 (17/5539) souledge 2010-11-20 2013-01-15 17:46:12 by 量化新手
[Abinit] abinit-6.12.3 (1/644) k_now 2012-06-03 2012-12-30 09:27:37 by huilaoshu999
[Vasp&Me ] 最新的 p4vasp for windows 0.3.20 已经发布 (21/4740) njuswj 2011-11-23 2012-12-25 21:01:54 by cumtzl
[资源] 西安交大SciFinder Web培训20120925 (2/420) 杨寻 2012-09-26 2012-12-21 08:43:48 by czyzsu
[资源] 一些第一原理相关的博士论文 (5/1298) hakuna 2012-08-26 2012-11-09 13:36:58 by huangle12
[Siesta& ] 正格矢和倒易格矢以及直角坐标和分数坐标的关系 (9/3866) zhangguangping 2012-04-04 2012-10-31 14:08:38 by @@@@0000
[其他] 精华I【分享】张瑞勤(香港城市大学)第三届计算纳米科学与新能源材料研讨会ppt    ( 1 2 3 ) (137/15618) 顺水 2010-10-29 2012-10-31 05:35:00 by lz830617
[资源] 【分享】有机分子结构查询,表面吸附小分子构型不用愁 (15/2530) fzx2008 2011-10-23 2012-10-23 14:51:36 by kexueshi
[MS] MS 4.4以上版本 单机多处理器并行使用 (0/369) digghost 2012-10-22 2012-10-22 10:09:43 by digghost
[MS] 【分享】Materials-Studio【已搜索无重复】 (17/1807) gleam0316 2009-02-26 2012-10-19 16:09:37 by 张梦真love
[Siesta& ] 【原创+分享】书写金Au(111)面块体电极的代码 (4/1334) zhangguangping 2010-05-10 2012-10-19 05:04:49 by liuwu65865
[Vasp&Me ] 【原创】关于结构优化的总结,体会 (33/8135) bnliu 2011-01-04 2012-10-17 12:35:51 by losenq
[其他] 【原创】vasp单机双核计算流程 (8/1528) freedom8928 2010-09-18 2012-10-11 06:27:02 by liguanghua
[Vasp&Me ] Lev00在vasp5的安装与使用 (4/1334) wangzg9292 2012-04-21 2012-09-25 06:13:07 by fjfuzhou
[资源] [关贴]国家地理百年经典典藏 (1/391) wanghouyuan 2012-09-02 2012-09-03 08:17:43 by cmmtt
[MS] 【原创】MS5.0 下CASTEP在windows XP 下的批处理计算 (20/2682) xiaozhigang 2010-11-04 2012-08-28 09:51:29 by 415999915
[QE(Pwsc ] [关贴]【分享】QUANTUM ESPRESSO(PWscf)各模块的原理及其用法 (30/8173) oulihui666 2010-02-03 2012-08-06 06:50:49 by 天气就是风景
[Siesta& ] ATK-12.2.r1版本于3月31日发布,并且测试版本不需要licence (13/2315) zhangguangping 2012-03-31 2012-08-02 06:37:42 by zhangguangping
[MS] [关贴]MS资料30本 (0/438) ljh-000 2012-07-03 2012-07-03 17:19:30 by ljh-000
[资源] Molecular Explorer--vasp结构可用 (2/638) cavediger 2012-06-21 2012-06-22 20:31:30 by chenyuchen
[Vasp&Me ] 【转帖】用VASP计算氢分子的能量 (8/6740) zdhlover 2009-06-26 2012-06-15 16:46:57 by xx4751
[Siesta& ] 精华II利用ATK发表的文章! (29/5872) zdhlover 2008-12-04 2012-05-25 12:42:29 by onion2440
[MS] 精华I【分享】在linux下安装ms4.4    ( 1 2 ) (65/11704) yhlllf 2009-03-10 2012-05-21 05:46:41 by farfaraway08
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