24小时热门版块排行榜    

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 94048.7 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
11%最高出勤率

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

存档说明

  • 提示：您目前浏览的是本版块存档区的帖子列表。点击这里进入本版块最新列表
    • 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] 投稿精细化工 huashmo 2025-12-15 刚刚
    【求助】计算失败 (2/147) 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 (1/145) 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 (5/440) 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) (8/1145) njut007 2007-11-09 2008-11-05 15:49:30 by sunjiangup
    [MS] 计算带隙    ( 1 2 ) (12/1222) jacky1092 2008-10-27 2008-11-05 15:38:51 by solarman
    [MS] 【求助】有没有DMOL3的群 (4/346) 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？ (0/172) 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 (2/324) righthere 2008-11-02 2008-11-05 14:43:04 by yitahutu
    [MS] ms安装问题 (2/131) lyh_ybu 2008-11-05 2008-11-05 12:42:36 by lyh_ybu
    [MS] 【求助】cpu显示为1 2 (3/328) 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？ (5/391) 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。 (1/845) 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 (0/125) 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 (3/362) 学员H1RkcJ 2008-11-01 2008-11-04 21:50:10 by lei0736
    [MS] [求助] MS 计算总是出错 (7/933) liutao_jlu822 2008-11-02 2008-11-04 21:04:08 by liutao_jlu822
    [MS] [求助]aix下安装ms (1/62) ljf7768 2008-11-04 2008-11-04 18:08:09 by ljf7768
    [MS] MS打补丁问题! (0/93) linglixia 2008-11-04 2008-11-04 17:51:18 by linglixia
    [MS] 【求助】：能带结构计算设置 (0/156) zsyf 2008-11-04 2008-11-04 17:00:56 by zsyf
    [MS] [求助]amorphous cell (4/432) imation 2008-11-04 2008-11-04 16:45:30 by imation
    [MS] [求助]图片输出格式问题 (1/101) 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？ (2/151) allenjobsf853 2008-11-03 2008-11-04 12:34:09 by allenjobsf853
    [MS] 【求助】：表面计算问题 (3/338) 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) (1/207) 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 (1/165) 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 (5/971) liuds7792 2008-10-27 2008-11-03 17:28:06 by spur
    [MS] 【求助】软件问题 (4/235) jieweiwei 2008-11-03 2008-11-03 17:10:19 by jieweiwei
    [MS] 【求助】dmol参数选择的请教 (4/589) quantum999 2008-11-02 2008-11-03 14:38:48 by quantum999
    [MS] 关于态密度问题 急！ (0/185) 风筝9680 2008-11-03 2008-11-03 14:14:49 by 风筝9680
    [MS] 【求助】计算失败 (0/73) 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 (0/68) 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 ) (12/874) yyjcathy 2008-10-22 2008-11-03 09:03:37 by yyjcathy
    [MS] 求助 4 (评阅-2) (2/113) yuanzilee23 2008-11-02 2008-11-02 22:53:43 by yuanzilee23
    [MS] 【求助】construction总失败是怎么回事？ (2/197) allenjobsf853 2008-11-01 2008-11-02 21:33:08 by allenjobsf853
    [MS] [求助]力场参数 (1/149) wujianyang 2008-11-02 2008-11-02 20:18:53 by yyjcathy
    [MS] 上传一个超级编辑器 (9/479) 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 (6/660) 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）？ (3/391) sea_sky002 2008-11-01 2008-11-02 18:18:41 by sea_sky002
    [MS] 【求助】CASTEP（苦闷啊） (3/360) 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 (7/861) kylin78 2008-10-29 2008-11-02 11:46:05 by gaottgougou
    [MS] materials studio 4.3 补丁 (17/1162) zhengjinde 2008-10-21 2008-11-02 10:59:48 by haixiao686
    [MS] 求助：dmol3的分析问题 8 (4/573) sdzll 2008-10-31 2008-11-02 10:27:43 by yyx19840628
    [MS] 【求助】刚性链怎么建立box？ (1/176) allenjobsf853 2008-11-01 2008-11-02 10:18:11 by yijun0516
    [MS] 请教castep的问题    ( 1 2 ) (评阅-2) (10/990) scdxchenfang 2008-06-13 2008-11-02 08:19:11 by aaq2800
    [MS] 【求助】MATERIAL STUDIO 3 (6/626) zuozhijun5134 2008-11-01 2008-11-01 23:01:13 by xmc8362
    [MS] [求助]我在计算弹性常数？ 8 (0/155) 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 (2/122) 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) (0/82) 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？ (4/296) xiao2008zhu 2008-11-01 2008-11-01 15:15:25 by xiao2008zhu
    [MS] 能带和态密度的问题 (0/161) 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 (0/153) ahua8405 2008-11-01 2008-11-01 09:32:20 by ahua8405
    [MS] 求助 materials studio 4.2 的license (3/640) yuanzilee23 2008-10-09 2008-11-01 00:25:20 by physics206
    [MS] 【请教】charg_frm文件 (6/670) 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 ) (13/2075) 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 (5/403) xiaowandouer 2008-10-28 2008-10-31 18:47:29 by xiaowandouer
    [MS] 【求助】关于castep计算态密度 (6/473) shiweimei 2008-10-31 2008-10-31 18:45:00 by qingliniao
    [MS] 求助：电子密度的问题 (3/237) sdzll 2008-10-30 2008-10-31 16:02:44 by sdzll
    [MS] <求助> 连接出现communication failure! 5 (0/122) 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？ (3/488) lixiaowei 2008-08-31 2008-10-31 15:07:15 by 刘长淼
    [MS] 【求助】自旋极化的选择 (4/649) jieweiwei 2008-10-29 2008-10-31 09:05:16 by jieweiwei
    [MS] 如何加入原子 (3/324) kuner 2008-10-29 2008-10-30 22:52:07 by kuner
    [Vasp&Me ] 【求助】并行vasp。XEON or OPTERON？ (2/158) 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 (1/190) fujishima 2008-10-30 2008-10-30 17:33:49 by zhengjinde
    [MS] 【求助】CASTEP排队提交作业 2 (1/181) 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 (7/935) 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 (2/154) 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 (1/284) 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？ (3/708) zplmff 2008-10-21 2008-10-30 10:38:48 by jacky1092
    [MS] 【求助】SiC晶格常数 (0/765) 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 (2/350) wwj_0905 2008-10-29 2008-10-30 09:05:15 by gwdavid
    [MS] 【求助】求助proacst的安装方法 (0/46) yyl1976 2008-10-30 2008-10-30 07:45:13 by yyl1976
    [MS] 【求助】dynamics运行失败 (4/322) tttl060 2008-10-28 2008-10-29 23:22:32 by 头头
    [MS] 【求助】MS计算出错 (0/221) 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) (0/259) 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 ) (21/1362) zhfuchun 2008-10-27 2008-10-29 22:16:15 by zhfuchun
    [MS] 求助CASTEP 3 (2/150) 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) (10/550) yuanzilee23 2008-10-23 2008-10-29 17:18:09 by yuanzilee23
    [MS] 【求助】分波态密度 (0/151) 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 ) (10/692) jacky1092 2008-10-29 2008-10-29 15:54:36 by milans7
    [MS] 【求助】自旋极化的选择 (0/91) jieweiwei 2008-10-29 2008-10-29 15:17:18 by jieweiwei
    [MS] 求助，关于立场的问题 (0/63) wwj_0905 2008-10-29 2008-10-29 15:12:32 by wwj_0905
    [Vasp&Me ] [求助]偶极校正问题 (0/212) huangyc 2008-10-29 2008-10-29 14:45:16 by huangyc
    [MS] [求助]做气氛下的优化 3 (0/77) mouse3511 2008-10-29 2008-10-29 11:35:53 by mouse3511
    [Vasp&Me ] 关于optics.F (0/95) sure1027 2008-10-29 2008-10-29 10:20:36 by sure1027
    [Vasp&Me ] 100金币求MedeA软件 (7/547) lwjonly 2008-10-26 2008-10-29 09:51:41 by superest
    [MS] MS计算中止后还能继续吗？ (2/153) jacky1092 2008-10-28 2008-10-29 09:46:44 by jieweiwei
    [MS] 【求助】CASTEP计算，怎么得到magnetic moment? (1/160) wonderflyer 2008-10-28 2008-10-29 08:43:40 by aaq2800
    [MS] 【求助】CASTEP 压力是怎么加的？ 1 (5/613) 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 (0/129) 紊流 2008-10-27 2008-10-28 16:45:40 by 紊流
    [MS] 表面问题 (评阅-2) (2/178) zhouzhongjunzzj 2008-10-28 2008-10-28 16:38:58 by csfn
    [MS] 【求助】Flip probability (0/56) 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) (3/283) bingbing197 2008-10-28 2008-10-28 15:58:06 by hopingzmn
    [MS] 【请教】关于MS运行时的问题 (5/674) bingbing197 2008-10-26 2008-10-28 15:56:18 by hopingzmn
    [MS] 【求助】计算失败以及提示 (5/275) 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 (3/416) channe 2008-10-22 2008-10-28 11:51:11 by channe
    [MS] 【求助】MS的服务问题 (3/311) bingbing197 2008-10-28 2008-10-28 10:52:27 by awpsr
    [MS] [求助]MS4.2，4.3安装问题！！ (9/812) knightsc 2008-10-07 2008-10-28 09:24:17 by xiaowandouer
    [MS] 怎么构建超晶胞 (2/423) jacky1092 2008-10-28 2008-10-28 09:19:25 by jacky1092
    【求助】dE到底是什么意思 (4/551) 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 (13/1944) 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 (25/1965) 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