24小时热门版块排行榜    

Znn3bq.jpeg
申请当版主 | 存档区 |应助排行|1ST强帖排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 订阅

管理团队 (金币库 94088.3 充值 )

主管区长：
月只蓝小红豆
主管版主：
漫天飘雪蛋蛋小童鞋franch

杰出贡献者

专家顾问：
souledge卡开发发dxcharlaryjpchou
荣誉版主：
spurzdhloverwuchenwfwuli8aylayl08zxzj05nono2009fegg7502youzhizhezzy870720zuuv2010御剑江湖yjcmwgkliliangfangben_ladengcenwanglaifzx2008ljw4010
荣誉成员：
ym23yjmaxpaynexirainbowwatermallice_rainstudy163minmin_0082003yllipro_junjieellsakingmazuju028zjuerstractorgzqdyouxiazhang668WDD880227y1ding
905173/91首页上一页717273747576下一页
全部 热点前沿问题讨论 MS Vasp&MedeA Wien2k&FLAPW&ELK Abinit Siesta&Smeagol&Atk QE(Pwscf) 资源 其他 版务
回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 085602调剂 初试总分335 19123253302 2026-04-09 刚刚
【求助】计算失败 (2/160) jieweiwei 2008-11-05 2008-11-05 19:48:48 by jghe
【求助】计算失败后几个遇到的问题 (1/150) jieweiwei 2008-11-04 2008-11-05 19:20:37 by hopingzmn
[Vasp&Me ] 【讨论】有谁买了MedeA了，交流一下 (5/449) jun.ren 2008-11-04 2008-11-05 16:26:57 by spur
[MS] QSAR/QSPR等软件讨论群 (评阅+5) (8/1251) njut007 2007-11-09 2008-11-05 15:49:30 by sunjiangup
[MS] 计算带隙    ( 1 2 ) (12/1290) jacky1092 2008-10-27 2008-11-05 15:38:51 by solarman
[MS] 【求助】有没有DMOL3的群 (4/385) sdzll 2008-11-03 2008-11-05 15:05:33 by wuli8
[MS] 【求助】Dmol3中如何设置Frozen-core近似？ (0/191) qiangwxr 2008-11-05 2008-11-05 14:58:25 by qiangwxr
[MS] [求助]：在MS里，做XRD指标化时，导入.raw文件的时候，报错！ 1 (2/359) righthere 2008-11-02 2008-11-05 14:43:04 by yitahutu
[MS] ms安装问题 (2/138) lyh_ybu 2008-11-05 2008-11-05 12:42:36 by lyh_ybu
[MS] 【求助】cpu显示为1 2 (3/369) jinhongyan2009 2008-11-04 2008-11-05 12:39:37 by zhengjinde
[MS] 求助：castep中选择GGA进行计算时得到的体积一定偏大吗？ (5/456) daisyggg 2008-11-04 2008-11-05 12:29:15 by wuli8
[MS] 【求助】in2o3的晶格常数和原子坐标。 (1/887) lizhenyong 2008-11-05 2008-11-05 10:36:47 by powerddt
[MS] 【求助】怎么样在Vista Home Basic 上安装MS4.1(放弃) 5 (0/131) 168yjh 2008-11-04 2008-11-04 22:02:55 by 168yjh
[MS] 【求助】弹性常数应该在哪查啊 2 (3/406) 学员H1RkcJ 2008-11-01 2008-11-04 21:50:10 by lei0736
[MS] [求助] MS 计算总是出错 (7/1032) liutao_jlu822 2008-11-02 2008-11-04 21:04:08 by liutao_jlu822
[MS] [求助]aix下安装ms (1/72) ljf7768 2008-11-04 2008-11-04 18:08:09 by ljf7768
[MS] MS打补丁问题! (0/98) linglixia 2008-11-04 2008-11-04 17:51:18 by linglixia
[MS] 【求助】：能带结构计算设置 (0/162) zsyf 2008-11-04 2008-11-04 17:00:56 by zsyf
[MS] [求助]amorphous cell (4/454) imation 2008-11-04 2008-11-04 16:45:30 by imation
[MS] [求助]图片输出格式问题 (1/107) 紊流 2008-11-04 2008-11-04 14:18:39 by donkeypku
[MS] 【求助】MS中的zeolite的名称含义？ (2/158) allenjobsf853 2008-11-03 2008-11-04 12:34:09 by allenjobsf853
[MS] 【求助】：表面计算问题 (3/366) jackapple 2008-11-04 2008-11-04 10:49:12 by jackapple
[Vasp&Me ] 关于态密度的问题 (评阅-2) (1/214) syrzhuang 2008-11-03 2008-11-04 07:56:33 by syrzhuang
[MS] 【求助】如何把有机物分子和水分子一起放进晶胞里面 1 (1/176) 刘长淼 2008-10-31 2008-11-03 20:41:59 by polymers_110
【求助】DFT+U中U和J的设置 (5/1104) liuds7792 2008-10-27 2008-11-03 17:28:06 by spur
[MS] 【求助】软件问题 (4/242) jieweiwei 2008-11-03 2008-11-03 17:10:19 by jieweiwei
[MS] 【求助】dmol参数选择的请教 (4/644) quantum999 2008-11-02 2008-11-03 14:38:48 by quantum999
[MS] 关于态密度问题 急！ (0/203) 风筝9680 2008-11-03 2008-11-03 14:14:49 by 风筝9680
[MS] 【求助】计算失败 (0/76) jieweiwei 2008-11-03 2008-11-03 09:56:41 by jieweiwei
[MS] [求助]如何计算晶体的slice energy ??? 5 (0/75) yitahutu 2008-11-03 2008-11-03 09:17:05 by yitahutu
[MS] linux版本命令行提交任务    ( 1 2 ) (12/949) yyjcathy 2008-10-22 2008-11-03 09:03:37 by yyjcathy
[MS] 求助 4 (评阅-2) (2/121) yuanzilee23 2008-11-02 2008-11-02 22:53:43 by yuanzilee23
[MS] 【求助】construction总失败是怎么回事？ (2/209) allenjobsf853 2008-11-01 2008-11-02 21:33:08 by allenjobsf853
[MS] [求助]力场参数 (1/154) wujianyang 2008-11-02 2008-11-02 20:18:53 by yyjcathy
[MS] 上传一个超级编辑器 (9/551) bingbing197 2008-10-31 2008-11-02 19:17:39 by bingbing197
[MS] 【求助】求 MS 4.2 安装及入门方法 (6/762) yuanzilee23 2008-10-06 2008-11-02 18:23:07 by caqhero
[MS] 【求助】castep几何优化中如何设置价电子（valence ecectrons）？ (3/428) sea_sky002 2008-11-01 2008-11-02 18:18:41 by sea_sky002
[MS] 【求助】CASTEP（苦闷啊） (3/399) 风筝9680 2008-11-02 2008-11-02 16:02:40 by jieweiwei
[求助]为什么优化过程中几何变化如此之大 2 (7/966) kylin78 2008-10-29 2008-11-02 11:46:05 by gaottgougou
[MS] materials studio 4.3 补丁 (17/1309) zhengjinde 2008-10-21 2008-11-02 10:59:48 by haixiao686
[MS] 求助：dmol3的分析问题 8 (4/634) sdzll 2008-10-31 2008-11-02 10:27:43 by yyx19840628
[MS] 【求助】刚性链怎么建立box？ (1/192) allenjobsf853 2008-11-01 2008-11-02 10:18:11 by yijun0516
[MS] 请教castep的问题    ( 1 2 ) (评阅-2) (10/1141) scdxchenfang 2008-06-13 2008-11-02 08:19:11 by aaq2800
[MS] 【求助】MATERIAL STUDIO 3 (6/717) zuozhijun5134 2008-11-01 2008-11-01 23:01:13 by xmc8362
[MS] [求助]我在计算弹性常数？ 8 (0/162) wyez 2008-11-01 2008-11-01 21:38:07 by wyez
[MS] 为何我在vista下装ms4.1总是说无权安装啊 (2/140) 秋猫 2008-10-31 2008-11-01 20:12:35 by 秋猫
[MS] 【求助】请问VIATA下 MS4.1 安装问题【放弃求助】 (评阅+2) (0/91) 168yjh 2008-11-01 2008-11-01 18:01:28 by 168yjh
[MS] 【求助】MS在64位XP上是不是不能运行？ (4/313) xiao2008zhu 2008-11-01 2008-11-01 15:15:25 by xiao2008zhu
[MS] 能带和态密度的问题 (0/169) 风隐幻 2008-11-01 2008-11-01 12:24:36 by 风隐幻
[MS] 【求助】关于聚合物和金属之间的相互作用参数 10 (0/158) ahua8405 2008-11-01 2008-11-01 09:32:20 by ahua8405
[MS] 求助 materials studio 4.2 的license (3/656) yuanzilee23 2008-10-09 2008-11-01 00:25:20 by physics206
[MS] 【请教】charg_frm文件 (6/695) jieweiwei 2008-10-15 2008-10-31 22:58:04 by kuner
[MS] 【求助】如何去掉Z方向的周期性    ( 1 2 ) (13/2200) jieweiwei 2008-10-23 2008-10-31 19:24:46 by donkeypku
[MS] 【求助】Linux版dmol无法算周期性体系 (5/455) xiaowandouer 2008-10-28 2008-10-31 18:47:29 by xiaowandouer
[MS] 【求助】关于castep计算态密度 (6/521) shiweimei 2008-10-31 2008-10-31 18:45:00 by qingliniao
[MS] 求助：电子密度的问题 (3/244) sdzll 2008-10-30 2008-10-31 16:02:44 by sdzll
[MS] <求助> 连接出现communication failure! 5 (0/125) jinhongyan2009 2008-10-31 2008-10-31 15:08:25 by jinhongyan2009
[MS] 【求助】materiao studio软件中的discover模块能模拟晶体生长吗？ (3/551) lixiaowei 2008-08-31 2008-10-31 15:07:15 by 刘长淼
[MS] 【求助】自旋极化的选择 (4/690) jieweiwei 2008-10-29 2008-10-31 09:05:16 by jieweiwei
[MS] 如何加入原子 (3/368) kuner 2008-10-29 2008-10-30 22:52:07 by kuner
[Vasp&Me ] 【求助】并行vasp。XEON or OPTERON？ (2/170) superest 2008-10-30 2008-10-30 18:32:33 by donkeypku
[MS] 【求助】：ms的lic问题，帮帮忙新手 (1/198) fujishima 2008-10-30 2008-10-30 17:33:49 by zhengjinde
[MS] 【求助】CASTEP排队提交作业 2 (1/186) mengsk 2008-10-30 2008-10-30 15:36:31 by wuli8
[MS] 态密度中的原子数量及其图如何画 (7/1010) kuner 2008-10-08 2008-10-30 14:54:08 by yangkunspace
[MS] 【求助】CASTEP计算出错，不知是什么原因 (2/173) wonderflyer 2008-10-29 2008-10-30 10:54:58 by wonderflyer
[MS] [求助]:如何画差分电子密度分布图 (1/297) heanhe 2008-10-29 2008-10-30 10:51:18 by xmc8362
[MS] 【求助】 MS中掺杂浓度怎么确定啊？ (3/757) zplmff 2008-10-21 2008-10-30 10:38:48 by jacky1092
[MS] 【求助】SiC晶格常数 (0/778) 程伟686 2008-10-30 2008-10-30 10:11:49 by 程伟686
[MS] 【求助】关于力场选择 (2/379) wwj_0905 2008-10-29 2008-10-30 09:05:15 by gwdavid
[MS] 【求助】求助proacst的安装方法 (0/49) yyl1976 2008-10-30 2008-10-30 07:45:13 by yyl1976
[MS] 【求助】dynamics运行失败 (4/364) tttl060 2008-10-28 2008-10-29 23:22:32 by 头头
[MS] 【求助】MS计算出错 (0/228) hdh912 2008-10-29 2008-10-29 23:08:28 by hdh912
[Vasp&Me ] 关于split_dos小程序的问题(已解决) (0/265) xiong54wei 2008-10-29 2008-10-29 22:46:12 by xiong54wei
[MS] 【求助】终于安装好了MS4.3unix版，并行成功    ( 1 2 3 ) (21/1550) zhfuchun 2008-10-27 2008-10-29 22:16:15 by zhfuchun
[MS] 求助CASTEP 3 (2/164) 好好学习772 2008-10-29 2008-10-29 21:05:09 by sea_sky002
[MS] 【求助】    ( 1 2 ) (评阅-2) (10/599) yuanzilee23 2008-10-23 2008-10-29 17:18:09 by yuanzilee23
[MS] 【求助】分波态密度 (0/157) jieweiwei 2008-10-29 2008-10-29 16:37:59 by jieweiwei
[MS] 虚线处代表费米能级吗？    ( 1 2 ) (10/754) jacky1092 2008-10-29 2008-10-29 15:54:36 by milans7
[MS] 【求助】自旋极化的选择 (0/97) jieweiwei 2008-10-29 2008-10-29 15:17:18 by jieweiwei
[MS] 求助，关于立场的问题 (0/68) wwj_0905 2008-10-29 2008-10-29 15:12:32 by wwj_0905
[Vasp&Me ] [求助]偶极校正问题 (0/220) huangyc 2008-10-29 2008-10-29 14:45:16 by huangyc
[MS] [求助]做气氛下的优化 3 (0/81) mouse3511 2008-10-29 2008-10-29 11:35:53 by mouse3511
[Vasp&Me ] 关于optics.F (0/101) sure1027 2008-10-29 2008-10-29 10:20:36 by sure1027
[Vasp&Me ] 100金币求MedeA软件 (7/616) lwjonly 2008-10-26 2008-10-29 09:51:41 by superest
[MS] MS计算中止后还能继续吗？ (2/161) jacky1092 2008-10-28 2008-10-29 09:46:44 by jieweiwei
[MS] 【求助】CASTEP计算，怎么得到magnetic moment? (1/170) wonderflyer 2008-10-28 2008-10-29 08:43:40 by aaq2800
[MS] 【求助】CASTEP 压力是怎么加的？ 1 (5/683) 好好学习772 2008-10-28 2008-10-29 08:20:06 by orion416
[MS] [求助]沸石晶胞问题 4 (0/133) 紊流 2008-10-27 2008-10-28 16:45:40 by 紊流
[MS] 表面问题 (评阅-2) (2/201) zhouzhongjunzzj 2008-10-28 2008-10-28 16:38:58 by csfn
[MS] 【求助】Flip probability (0/60) wwj_0905 2008-10-28 2008-10-28 16:11:34 by wwj_0905
[MS] MS软件的服务开启不了 (评阅-2) (3/311) bingbing197 2008-10-28 2008-10-28 15:58:06 by hopingzmn
[MS] 【请教】关于MS运行时的问题 (5/727) bingbing197 2008-10-26 2008-10-28 15:56:18 by hopingzmn
[MS] 【求助】计算失败以及提示 (5/294) jieweiwei 2008-10-25 2008-10-28 15:01:52 by jieweiwei
[Vasp&Me ] 【求助】在优化过程中的两个小问题 (3/448) channe 2008-10-22 2008-10-28 11:51:11 by channe
[MS] 【求助】MS的服务问题 (3/348) bingbing197 2008-10-28 2008-10-28 10:52:27 by awpsr
[MS] [求助]MS4.2，4.3安装问题！！ (9/893) knightsc 2008-10-07 2008-10-28 09:24:17 by xiaowandouer
[MS] 怎么构建超晶胞 (2/444) jacky1092 2008-10-28 2008-10-28 09:19:25 by jacky1092
【求助】dE到底是什么意思 (4/599) huangyc 2008-10-24 2008-10-28 09:01:18 by ApolloYang
[MS] [求助]从这个PDOS结果如何分析成键情况啊？    ( 1 2 ) 10 (13/2078) 学员H1RkcJ 2008-10-21 2008-10-28 08:22:48 by wuli8
[MS] 【求助】castep做电荷密度图的问题    ( 1 2 3 ) 3 (25/2103) shxincui518 2008-06-04 2008-10-28 08:18:21 by wuli8
905173/91首页上一页717273747576下一页
相关版块跳转
查看