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    [热点] 退学或坚持读 难忘2018 2026-02-05 刚刚
    [Vasp&Me ] 【求助】非共线计算问题 3 (4/644) miracle3130 2009-09-09 2009-12-01 20:17:42 by wuchenwf
    [Vasp&Me ] 【求助】phon虚頻问题及对ZPE的影响 (7/649) liuchaoren5772 2009-11-20 2009-12-01 20:09:29 by zdd2008
    [MS] 【讨论】优化过程不同最后的结构是否一样? (5/379) zdhlover 2009-11-30 2009-12-01 19:54:40 by gavinliu7390
    [MS] 【求助】关于Core treatment (3/465) fangyuan5687 2009-11-30 2009-12-01 19:49:41 by fangyuan5687
    [Siesta& ] 【求助】ATK可以建立多壁纳米管吗? (6/466) wwxq 2009-11-09 2009-12-01 19:09:41 by wwxq
    [MS] 【讨论】castep 磁性计算群,欢迎大家踊跃参加。 (8/536) btvipvip 2009-11-30 2009-12-01 19:02:54 by btvipvip
    [Siesta& ] 【求助】make: f77:命令未找到 make: *** [atm.o] 错误 127 (7/1688) hanyi89 2009-11-29 2009-12-01 16:12:58 by hanyi89
    [MS] 【求助】请用服务器或工作站算MS的虫虫帮帮忙!    ( 1 2 ) 12 (12/707) 水月慧心 2009-11-23 2009-12-01 16:10:49 by 水月慧心
    [Abinit] 【求助】abinit老版本程序 30 (1/222) journalemu 2009-12-01 2009-12-01 16:05:54 by wenjlu
    [MS] 【求助】在费米面态密度非常高 3 (评阅+1) (6/1220) marsdoing 2009-11-09 2009-12-01 15:47:24 by marsdoing
    [MS] 【求助】氧化锌中引入受主能级问题 30 (3/714) chunying 2009-11-30 2009-12-01 14:59:20 by fo3mt2
    [MS] 【求助】对稀土元素就算时出错 2 (2/211) yufeicwnu 2009-12-01 2009-12-01 14:38:13 by fo3mt2
    【求助】请问这个是哪个软件模块里面有的呀 2 (0/136) haimlu 2009-12-01 2009-12-01 14:03:39 by haimlu
    [Vasp&Me ] 【求助】EM64T+32bit linux,vasp可不可以编译成32位的? (9/394) cenwanglai 2009-11-13 2009-12-01 14:01:53 by cenwanglai
    【求助】求助CASTEP,请各位大虾帮帮忙! 5 (评阅+1) (4/278) ying3210 2009-11-28 2009-12-01 13:28:44 by css8170
    [MS] 【求助】Castep电荷密度差分图的显示 (7/1685) pingping6396 2009-11-30 2009-12-01 13:09:44 by pingping6396
    [MS] 【求助】平衡分子系统的质量中心速度和温度的关系 (3/314) kuangyd 2009-12-01 2009-12-01 12:58:11 by kuangyd
    [MS] 【求助】[求助]Equilibria模块的使用 10 (0/116) daniel2001 2009-12-01 2009-12-01 12:50:36 by daniel2001
    [Vasp&Me ] 【求助】vasp 计算gamma点振动频率的分析 (7/1915) 405963512 2009-11-19 2009-12-01 12:01:09 by stractor
    [MS] 【求助】getway出问题了,请教高手 (4/586) lyf324758053 2009-12-01 2009-12-01 11:50:32 by lyf324758053
    [Abinit] 【求助】有谁用abinit做过掺杂吗/ (1/174) liuhuan2017 2009-12-01 2009-12-01 11:38:39 by liuhuan2017
    [MS] 【求助】求MS4.4 Linux dmol能并行的license 5 (0/152) linldq 2009-12-01 2009-12-01 10:55:00 by linldq
    【求助】用castep算出来的能带图中,能量为零的线是费米能级吗? (5/1026) szj2008hero 2009-03-31 2009-12-01 10:54:09 by yachunwang
    【求助】如何改变力场参数 (9/1086) fyz_ok 2009-03-05 2009-12-01 10:51:57 by kuangyd
    【求助】关于castep费米面的计算 (5/669) stou 2009-04-09 2009-12-01 10:50:17 by yachunwang
    [QE(Pwsc ] 【求助】如何确定费米能    ( 1 2 ) (10/1340) zhl2967 2009-04-14 2009-12-01 10:44:41 by yachunwang
    [其他] 【转帖】密度泛函的发展与应用 (评阅+2) (9/6080) zxzj05 2009-11-27 2009-12-01 10:39:54 by zzjust
    [MS] 【求助】不同晶系不同结构的横坐标如何确定啊 (2/170) xiaofenghit 2009-11-18 2009-12-01 10:36:57 by xiaofenghit
    【求助】forcite动力学轨迹和Discover动力学轨迹 (9/650) 点点儿 2009-05-22 2009-12-01 10:29:39 by kuangyd
    [MS] 【求助】能带图的价带顶在费米能级上?    ( 1 2 ) (11/1486) flyfly20069888 2009-11-17 2009-12-01 08:45:52 by yachunwang
    [MS] 【求助】castep计算报错 6 (4/529) stou 2009-11-30 2009-12-01 08:22:22 by yachunwang
    [Vasp&Me ] 【求助】表面能的计算问题 (3/431) hn19870519 2009-11-29 2009-11-30 21:29:39 by acridine
    [MS] 【求助】晶胞设定的问题 (4/287) 眉峰 2009-11-29 2009-11-30 21:17:05 by mengfc
    [Vasp&Me ] 【求助】vasp提交任务报错 (4/1046) Ilovenewyork 2009-11-29 2009-11-30 20:48:46 by Ilovenewyork
    [MS] 【求助】MS导入例子出错 (3/393) 84475935 2009-11-29 2009-11-30 20:17:16 by qasd
    [Abinit] 【求助】Abinit5.8.4安装编译出错 (4/361) B.C.Wang 2009-11-28 2009-11-30 17:24:44 by B.C.Wang
    [MS] 【求助】如何建一个环形的模型 (5/370) 爱惜花草 2009-11-30 2009-11-30 17:00:42 by identation
    [Abinit] 【求助】GW计算 (1/322) Amay6276 2009-11-30 2009-11-30 16:52:20 by Amay6276
    [MS] 【求助】远程服务器licence error (0/116) mophyworld 2009-11-30 2009-11-30 16:49:51 by mophyworld
    [MS] [关贴]【求助】Materials-studio help文件的 中文版本 1 (8/409) wanfei 2009-11-21 2009-11-30 16:39:29 by 目光之城
    【讨论】PDOS和LDOS的区别! (7/3062) linglixia 2009-02-12 2009-11-30 16:27:49 by Bronco101
    [MS] 【讨论】MS-CASTEP计算掺杂体系是否要弛豫?    ( 1 2 ) (14/1375) amynliou 2009-11-27 2009-11-30 14:48:13 by doudouding
    [MS] 【求助】谁能把ICSD2004版分享一下吗?谢谢啦!    ( 1 2 ) (13/1155) dongqingwa 2009-07-14 2009-11-30 14:33:04 by doudouding
    [MS] 【原创】MS的bug以及无法解释的错误    ( 1 2 ) (评阅+7) (19/1065) tanloer 2009-10-30 2009-11-30 14:08:18 by lindlar0078
    [MS] 【求助】MS画图求助 1 (6/526) wo8165827 2009-11-25 2009-11-30 12:54:55 by wo8165827
    [MS] 【求助】castep成分无序计算 (9/931) shelay 2009-08-12 2009-11-30 12:04:28 by shelay
    [其他] 【求助】求助一篇论文 (0/103) 徐亮8090 2009-11-30 2009-11-30 11:04:49 by 徐亮8090
    [MS] [关贴]【求助】求一篇硕士毕业论文 (0/133) number1xu 2009-11-30 2009-11-30 10:36:04 by number1xu
    [MS] 【求助】用origin如何做DOS的积分曲线 3 (3/585) shalier 2009-11-25 2009-11-30 10:03:37 by xtrlcj
    [MS] 【求助】MS4.4-linux-cluster下安装证书失败 10 (5/371) maccsi1206 2009-11-26 2009-11-30 09:25:37 by zhengjinde
    【求助】对“用Material Studio构建表面模型(zz)” 帖的疑问 (评阅+1) (2/287) laohaoren2802 2009-11-23 2009-11-30 09:17:47 by laohaoren2802
    [MS] 【求助】紧急求助,寻找距离最短原子问题!!! (5/299) mophyworld 2009-11-19 2009-11-30 08:58:03 by mophyworld
    [MS] 【求助】【求助】关于如何在discover中加电场的问题 5 (5/379) vbaov 2009-11-12 2009-11-29 23:59:57 by icyspace
    [MS] 【求助】应力应变曲线的计算 (2/1310) shelay 2009-10-31 2009-11-29 23:56:32 by icyspace
    [MS] 【求助】castep无法计算 (8/543) stou 2009-11-26 2009-11-29 21:53:32 by granular
    [Vasp&Me ] 【求助】并行安装软件包,出如下错误 (5/359) journalemu 2009-11-28 2009-11-29 21:22:26 by wuchenwf
    [MS] 【求助】能带和态密度一一对应吗? 6 (5/498) jinhongyan2009 2009-11-29 2009-11-29 21:08:17 by gavinliu7390
    [MS] 【讨论】选择了计算电荷密度为什么计算结果中没有? (4/419) lwg020810 2009-11-29 2009-11-29 21:07:43 by lwg020810
    [Vasp&Me ] 【求助】Au(111) surface energy (6/647) xianfeng 2009-10-17 2009-11-29 21:04:31 by goodtimega
    [Vasp&Me ] 【求助】VASP计算出错,请求帮助 (4/493) 百事可乐617 2009-11-27 2009-11-29 19:42:50 by hlshi
    [MS] 【讨论】第一性原理计算趋势    ( 1 2 ) (10/934) shelay 2009-11-27 2009-11-29 17:36:51 by yjyang07
    [其他] 【求助】◑求助密度泛函理论缺陷和改进方法方面文章资料 (1/275) shyman128 2009-06-09 2009-11-29 15:08:44 by fillippo99
    [MS] 【求助】用castep做DMS 时结构优化需要把spin polarized 勾选上么? (评阅+1) (3/569) btvipvip 2009-11-27 2009-11-29 09:56:56 by syxm_1988114
    [Vasp&Me ] 【求助】计算能带时不同结构不同K点怎么产生? (9/1270) lightgjx 2009-11-27 2009-11-29 09:18:46 by lightwlj
    [其他] 【求助】一个有关团簇句子的翻译 (3/249) number1xu 2009-11-28 2009-11-28 19:16:49 by number1xu
    [其他] 【求助】一个专业短语的翻译 (1/95) number1xu 2009-11-28 2009-11-28 16:24:36 by chimegreen
    [Siesta& ] 【讨论】错误的原因是什么呢? (评阅+1) (2/135) dtlfnwu 2009-11-27 2009-11-28 15:55:08 by dtlfnwu
    [其他] 【转帖】一年以前的Science全文下载 (12/731) zhangyunli 2009-04-03 2009-11-28 15:07:31 by zd777
    [MS] 【求助】关于k-point的设置 (4/572) Hector8275 2009-11-27 2009-11-28 10:52:09 by Hector8275
    [MS] 【讨论】咨询castep中的赝势文件可能修改? (3/458) positron 2009-11-27 2009-11-28 10:28:46 by positron
    [Vasp&Me ] 【求助】掺杂带隙计算 8 (4/524) wangzg9292 2009-11-27 2009-11-28 10:28:25 by wangzg9292
    [MS] 【讨论】缺陷形成能 (2/398) liujie1003 2009-11-27 2009-11-28 10:27:59 by identation
    [MS] 【求助】VCA和CPA区别 (2/490) shelay 2009-11-27 2009-11-28 10:27:55 by shelay
    [MS] 【求助】表面积 (0/141) liujie1003 2009-11-27 2009-11-28 10:27:42 by liujie1003
    [MS] 【求助】求助缺陷价态的设定 3 (0/133) 2008210014 2009-11-27 2009-11-28 10:27:37 by 2008210014
    [Abinit] 出现下面问题anaddb < trf2_4.files > trf2_4.logAt line 79 of file init9.F90 (1/260) wyez 2009-11-27 2009-11-28 10:26:00 by wenjlu
    [Wien2k& ] 【求助】在运行wien2k遇到问题    ( 1 2 3 ) (23/1220) mengfc 2009-10-21 2009-11-28 10:23:22 by shirley8295
    [Vasp&Me ] 【转帖】如何用VASP计算单个原子的能量[权威版] (2/1109) zdhlover 2009-06-26 2009-11-28 10:20:50 by aylayl08
    [MS] 【求助】有关折射率的问题 (3/411) slogger 2009-11-19 2009-11-28 10:12:49 by slogger
    [MS] 【求助】求教CASTEP之Spin spolaized (7/681) 学员z4kOrB 2009-11-26 2009-11-28 10:12:01 by zdhlover
    [MS] 【讨论】castep的FFT Derived Grid设定问题 5 (4/588) positron 2009-11-21 2009-11-28 10:11:44 by aylayl08
    [Vasp&Me ] 【求助】vasp 5.1 lib (0/190) 顺水 2009-11-23 2009-11-28 10:09:48 by 顺水
    [MS] 【求助】discover里面怎么分析氢键分布? 10 (2/190) ljyang320 2009-11-21 2009-11-28 10:07:24 by ljyang320
    [其他] 【其他】【活动】征集量化软件辅助程序(提供资源者,将获得30-100金币) (评阅+1) (1/198) yjcmwgk 2009-11-25 2009-11-28 10:03:37 by aylayl08
    【求助】安装编译器问题:intel fortan compilor for linux (6/710) hbyi 2009-06-07 2009-11-28 09:28:52 by ghcacj
    【求助】安装ffmpeg,make时错误~    ( 1 2 ) (评阅+2) (12/724) tacaro 2009-09-23 2009-11-28 09:28:48 by tacaro
    【求助】tcsh安装问题 (8/1334) hbyi 2009-06-08 2009-11-28 09:28:48 by jove1782
    【求助】R 软件做并行 (评阅+1) (1/187) zyasdf 2009-09-28 2009-11-28 09:28:47 by jove1782
    【求助】麻烦大家了 2 (评阅+1) (2/152) 906980368 2009-09-27 2009-11-28 09:28:37 by 906980368
    【求助】一个关于SGI并行取消指定节点的问题 (评阅+1) (6/544) wenxuan5788 2009-09-28 2009-11-28 09:28:17 by 寻找8289
    【求助】集群中有的节点无法使用执行程序咋回事    ( 1 2 ) (评阅+1) (14/825) redskywei 2009-09-29 2009-11-28 09:28:04 by redskywei
    【求助】openPBS 任务队列问题 (评阅+1) (6/458) tacaro 2009-10-14 2009-11-28 09:27:55 by y1ding
    【求助】工作站启动问题:Starting smartd: [FAILED] (评阅+2) (8/1115) longchang 2009-09-08 2009-11-28 09:27:53 by quantumfang
    【分享】电脑集群常见问题[已搜索,无重复] (7/1321) js.ao 2009-10-09 2009-11-28 09:27:51 by goldstar570
    【讨论】大家都用哪个版本的linux啊?    ( 1 2 3 4 5 ) (评阅+8) (40/2139) 350368 2009-07-16 2009-11-28 09:27:43 by 250260882
    【求助】呵呵,寻找一个文件编译命令 (评阅+1) (3/296) 906980368 2009-10-23 2009-11-28 09:27:38 by 906980368
    【讨论】分析前线轨道 1 (评阅+1) (7/635) piaoran168 2009-09-18 2009-11-28 09:27:36 by yachunwang
    【分享】Linux实用培训学习教程1.0(最终版)【已搜索无重复】 (10/522) dgkjo 2009-09-22 2009-11-28 09:27:35 by Jacksky
    【求助】求助 结束 20 (评阅+1) (3/325) Jacksky 2009-10-24 2009-11-28 09:27:33 by Jacksky
    【求助】大家看看 TYAN FX71 刀片服务器怎么样? (评阅+1) (9/693) wlusheng 2009-10-13 2009-11-28 09:25:58 by nwpu_1223
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