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    [热点] 论文投稿,期刊推荐 中原小帕菜 2025-12-09 刚刚
    【求助】求助:有试验得到的空间群 x,y,z 和abc 如何在castep中进行建模计算 (6/545) wen_dao 2009-06-19 2009-06-19 22:12:09 by medicine1031
    【求助】vasp单机并行安装 (1/328) zhangkun7581 2009-06-19 2009-06-19 17:12:49 by zhangkun7581
    [MS] 【求助】MS4.0安装后,使用Dmol,进行任何计算都failure,请指教~急! (评阅+1) (6/627) 天棚元帅 2009-04-02 2009-06-19 15:41:18 by effi903
    [MS] 【求助】关于k点的问题! (6/490) hedge 2009-06-18 2009-06-19 15:29:51 by medicine1031
    [Wien2k& ] 【其他】有没有wien2k的QQ群 (2/94) mpzslyk 2009-06-18 2009-06-19 15:26:54 by condensed
    【求助】单机计算的问题 (7/500) shelay 2009-06-18 2009-06-19 14:53:13 by aylayl08
    [MS] 【求助】装了MS4.1,可是建完模之后不能 run。 (2/355) haibo23 2009-06-18 2009-06-19 14:24:40 by yjr
    [Vasp&Me ] 【讨论】测试计算 (评阅+1) (4/288) xiaojie7783 2009-06-19 2009-06-19 12:21:26 by condensed
    [Wien2k& ] [求助]在哪能购买到Wien2k,什么价格? (6/1093) wuli8 2008-11-27 2009-06-19 00:03:09 by newness
    [其他] 【分享】硬度第一性原理计算 (17/2129) zxzj05 2009-04-28 2009-06-18 23:27:12 by 李许诺
    [其他] 【讨论】有谁在用PROFESS这个程序? (4/202) dwyuan 2009-06-17 2009-06-18 21:11:39 by dwyuan
    【求助】动力学后的分析总是失败??? (5/460) 小老鼠151 2009-06-17 2009-06-18 20:06:11 by wobuzhidao1
    [MS] 【求助】Amorphous cell的问题 (8/996) 小老鼠151 2008-10-20 2009-06-18 18:38:32 by tttl060
    【求助】CASTEP计算水的DOS中-21eV的峰是哪个轨道产生的? (5/668) mengsk 2009-06-18 2009-06-18 18:34:55 by aylayl08
    [MS] 【分享】CASTEP关键词手册 (12/1275) gkd_0000 2008-06-29 2009-06-18 16:14:49 by xiao2008zhu
    【求助】求助 用Material studio分析出的数据 怎么分析材料的带隙? (5/674) wen_dao 2009-06-18 2009-06-18 15:41:18 by 861015
    [MS] 【讨论】能量计算结果不能看 (8/450) 小臭虫 2009-06-13 2009-06-18 15:00:00 by medicine1031
    【求助】关于计算Sb掺杂ZnO模拟计算结果讨论问题    ( 1 2 ) (11/1086) 050610727 2009-06-04 2009-06-18 14:58:12 by medicine1031
    【求助】MS 提示版本过期 (6/402) yyx19840628 2009-06-15 2009-06-18 13:01:43 by yychjm0999
    [MS] 【求助】MS能否模拟聚氨酯与其加速剂的反应过程? 10 (3/301) sunxiao 2009-06-09 2009-06-18 11:55:27 by wobuzhidao1
    【求助】第一性原理计算所需通讯量大不大? 7 (5/468) minsong 2009-06-18 2009-06-18 11:52:38 by wuli8
    [Vasp&Me ] 【讨论】vasp计算能带弯曲 (0/258) 405963512 2009-06-18 2009-06-18 09:43:01 by 405963512
    [其他] 【求助】521 (0/94) 徐亮8090 2009-06-18 2009-06-18 07:08:08 by 徐亮8090
    [MS] 【求助】纳米管的吸附大家有计算的么? (6/517) xiaohunhun 2009-06-15 2009-06-18 04:48:33 by weiliu6762
    [其他] [关贴]【分享】第一性原理版诚聘版主 (9/277) wuli8 2009-06-16 2009-06-17 22:46:04 by wuli8
    [Wien2k& ] 【求助】lapw2出错    ( 1 2 ) (15/721) newness 2009-05-24 2009-06-17 20:45:09 by newness
    [MS] 【求助】计算结果保存? 4 (2/158) cqgzc 2009-06-17 2009-06-17 19:29:13 by cqgzc
    【求助】castep中的光学带隙值 (7/550) laohaoren2802 2009-06-13 2009-06-17 18:00:09 by xiaoboy185
    【求助】[求助]Error: failed to allocate memory for p_popb (2/166) linglixia 2009-06-17 2009-06-17 17:57:40 by njuswj
    [Vasp&Me ] 【求助】求 VENUS windows版 (2/275) fanchen021 2009-06-17 2009-06-17 17:06:44 by fanchen021
    [其他] 【分享】最新上线:【专栏文章】,欢迎访问! (评阅+2) (3/173) wuli8 2009-06-17 2009-06-17 15:55:49 by yzcluster
    [其他] 【转帖】个人关于求助和回复的建议 (评阅+2) (1/102) wuli8 2009-06-17 2009-06-17 14:39:00 by ynu88
    [Siesta& ] 【求助】siesta中遇到的问题 (3/439) Huanhuan5360 2009-06-03 2009-06-17 13:36:49 by gao34224
    [MS] 【讨论】SPIN的问题 (3/547) crante 2009-02-26 2009-06-17 12:46:51 by ilyx8050
    【求助】关于torque任务CPU调用的问题。 2 (0/171) hadone 2009-04-14 2009-06-17 12:40:26 by hadone
    【讨论】单机多cpu使用vasp    ( 1 2 3 ) (评阅+6) (22/1748) veryman 2008-12-28 2009-06-17 12:40:07 by wuli8
    【求助】如何跨节点并行 (9/2471) huangyc 2009-04-28 2009-06-17 12:34:42 by wuli8
    [Wien2k& ] 【求助】计算费米面问题 2 (1/254) yinwei_li 2009-05-20 2009-06-17 12:25:26 by wuli8
    【求助】linix下MS批量提交任务的源程序 (5/411) hyliu0618 2009-05-21 2009-06-17 12:23:49 by tjpm
    【求助】请教集群下提交任务 (8/755) goalry 2009-06-06 2009-06-17 12:20:24 by dirtor
    [MS] 【讨论】dmol3算单点能 (0/213) yyx19840628 2009-06-17 2009-06-17 11:06:05 by yyx19840628
    【求助】DMol中对称性如何取消? (5/747) zoujuanzi 2009-06-15 2009-06-17 09:34:14 by wenmenkui
    [MS] 【求助】求助: redefine lattice? (3/653) gavinliu7390 2009-06-14 2009-06-17 08:52:42 by zcjyzst
    【交流】MS安装时license的正确安装 (评阅+2) (金币≥3)(4/286) hexingyi 2009-01-02 2009-06-17 06:38:31 by hexingyi
    [MS] 【求助】doml3 warn 问题 (0/107) jacer 2009-06-16 2009-06-16 22:53:27 by jacer
    [Siesta& ] atk和VNL软件大全(欢迎补充) (12/1082) wzslg 2008-12-06 2009-06-16 21:15:48 by freshgirl
    [Vasp&Me ] 【求助】关于split_dos的安装和运行!    ( 1 2 ) (11/1466) bluce 2009-02-04 2009-06-16 21:11:27 by wwl5213384
    [Siesta& ] 【转帖】ATK/VNL 2008.10版本的改进 (0/319) zdhlover 2009-06-16 2009-06-16 20:39:07 by zdhlover
    [MS] 【分享】MS4.4 (评阅+1) (6/1463) xiaowandouer 2008-11-20 2009-06-16 20:19:20 by xiaowandouer
    [MS] 【讨论】简并态 (3/390) wwj_0905 2009-06-16 2009-06-16 20:16:07 by wwj_0905
    【求助】帮忙看看这个SiC模型,谢谢    ( 1 2 ) (10/527) 学员crl5s4 2009-06-15 2009-06-16 20:11:16 by zjuer
    [Vasp&Me ] 【求助】NEDOS选择对d-band center和d轨道占据数有影响? (4/1162) huangyc 2009-05-14 2009-06-16 17:28:56 by fanchen021
    【求助】castep建立O2模型优化的问题 (6/653) 文明8937 2009-06-11 2009-06-16 16:37:05 by 深蓝海282
    【求助】关于剪刀算符取值的问题 (4/507) 风筝9680 2008-12-08 2009-06-16 15:53:19 by 月影
    [其他] [关贴]【求助】量子化学网最近是不是上不了? (4/174) huangshp 2009-06-15 2009-06-16 10:12:41 by hjlyyc
    [Vasp&Me ] [求助]如何用vasp计算Gd单个原子能量?    ( 1 2 ) (16/1977) wenxuan5788 2009-01-16 2009-06-16 08:25:04 by 含草
    【求助】图里的某些字符的含义 2 (7/537) s044154lyg 2009-06-15 2009-06-16 00:15:00 by yzcluster
    【求助】linux下MS运算2个CPU8个核为什么只有一个核运行 5 (4/987) hyliu0618 2009-05-31 2009-06-15 22:58:13 by lbambool
    【求助】如何在linux操作系统下建立用于MS计算的集群 (4/430) TYHB 2009-05-31 2009-06-15 22:56:26 by lbambool
    [其他] 【求助】请教怎样写催稿信? (5/479) ct417 2009-06-15 2009-06-15 21:50:53 by woshilaoer8381
    [Vasp&Me ] 【讨论】DOS计算的步骤到底该怎样? (3/536) 405963512 2009-06-15 2009-06-15 21:50:44 by miracle3130
    [MS] 【求助】如何将固体物理上群表示转化为MS中的表示 (2/186) haode22 2009-06-14 2009-06-15 21:22:36 by giep2008
    [MS] 【求助】Fe2+和Fe3+离子中未成对的电子各有几个? (9/1053) giep2008 2009-06-14 2009-06-15 19:54:04 by giep2008
    [Abinit] 【求助】请教abinit和pwscf的不同等问题 (4/599) Jasminer 2009-06-15 2009-06-15 19:13:21 by gavinliu7390
    [Vasp&Me ] 【求助】钎锌矿结构能带计算时用的KPOINTS文件 (2/244) zyjsky01 2009-06-15 2009-06-15 18:46:56 by zyjsky01
    [Vasp&Me ] 【求助】系统warning 3 (0/157) shalier 2009-06-15 2009-06-15 17:48:54 by shalier
    [MS] 【求助】请问用MS如何计算晶体的吉布斯自由能 (9/1889) li_xinjiang 2009-03-31 2009-06-15 16:37:45 by yzcluster
    [Vasp&Me ] 【求助】Non-collinear calculations出错 (0/273) miracle3130 2009-06-15 2009-06-15 14:26:51 by miracle3130
    【求助】Forcite 动力学问题 (4/513) pumf 2009-03-25 2009-06-15 12:39:31 by Tower.Tsu
    【求助】请问怎样找有关第一性原理的综述性文章? (1/307) rogerxiao 2009-06-15 2009-06-15 12:20:04 by yychjm0999
    【求助】castep运行出错? (2/261) laohaoren2802 2009-06-14 2009-06-15 11:13:59 by wendaoliuxu
    [MS] 【求助】搜索过渡态问题 (0/253) wendylv 2009-06-15 2009-06-15 11:12:27 by wendylv
    [MS] 【求助】超临界CO2的建模 (1/150) chen9110 2009-06-15 2009-06-15 09:37:46 by chen9110
    [其他] 【求助】这两本电子结构的书怎么样啊? (8/879) superjie 2009-06-11 2009-06-15 09:25:37 by chuzhaonan
    [其他] 【分享】无意中发现的网页,简单介绍几种方法 (12/901) xujc1983 2009-06-07 2009-06-15 09:21:40 by hjlyyc
    [MS] 【求助】castep收敛问题 (4/357) ct417 2009-06-14 2009-06-14 22:46:22 by ct417
    [QE(Pwsc ] 【分享】pwscf软件4.05最新版 (9/982) chuzhaonan 2009-06-12 2009-06-14 16:54:21 by fegg7502
    [MS] Accelrys.Materials.Studio.V4.3.lic (6/326) he1417 2008-12-27 2009-06-14 16:49:01 by fegg7502
    [Vasp&Me ] 『求助』计算DOS时有时读WAVECAR,有时又不读 7 (7/1008) chemofish 2009-02-01 2009-06-14 15:26:24 by cbFeng200881
    [Vasp&Me ] 【求助】错误求助 3 (0/128) shalier 2009-06-14 2009-06-14 14:50:49 by shalier
    【求助】material studio 中文教程 (7/875) springnk 2009-04-17 2009-06-14 13:33:18 by newness
    [Vasp&Me ] 【求助】vasp优化错误提示 1 (2/350) liluyan 2009-06-12 2009-06-14 12:46:52 by liluyan
    【求助】如何将固体物理上群表示转化为MS中的表示 (4/212) haode22 2009-06-14 2009-06-14 10:59:02 by haode22
    [其他] 【求助】衡量表面稳定性的都有哪些方法? (6/464) liyong.gan 2009-02-06 2009-06-14 09:53:17 by dirtor
    【讨论】DS for Linux安装问题探讨    ( 1 2 ) (10/1337) phenols 2008-12-30 2009-06-13 22:39:38 by phenols
    【分享】简易的程式平行化方法-OpenMP (6/526) zyy816 2009-02-20 2009-06-13 22:22:05 by lei0736
    【转】资源:MS 4.2 for UNIX (1/131) saitou 2009-01-05 2009-06-13 22:18:20 by lei0736
    [其他] [求助]Encut对弛豫的影响 (3/419) TIGERYZZ 2009-01-25 2009-06-13 22:09:52 by xiaomagh
    [其他] [求助] 哪个软件可以计算晶体的近邻数 (4/381) xiaomagh 2009-01-21 2009-06-13 22:09:42 by xiaomagh
    [Vasp&Me ] 【求助】Vasp error for help (2/257) jun.ren 2009-01-15 2009-06-13 22:08:46 by chemofish
    【求助】求助F原子的原子坐标 (3/365) hpcqq 2009-02-06 2009-06-13 22:08:33 by wuchenwf
    [Vasp&Me ] 【求助】大家有没见过这个错误 (2/173) channe 2009-02-08 2009-06-13 22:07:49 by channe
    [Vasp&Me ] [求助] 如何利用vasp计算原子团簇的能量 (3/593) ustbmars 2009-02-08 2009-06-13 22:07:41 by csfn
    [Vasp&Me ] [求助]计算原子能量时的困惑 6 (4/466) chemofish 2009-02-05 2009-06-13 22:07:25 by stractor
    [其他] [求助] 如何计算半导体载流子的有效质量 (4/736) huangdan9604 2009-02-06 2009-06-13 22:07:15 by cuihang
    [Vasp&Me ] 【求助】表面吸附有机大分子的问题 (1/202) xiaogai 2009-02-13 2009-06-13 22:06:38 by zxzj05
    [Vasp&Me ] 【求助】VASP直接法计算声子谱 (3/838) stractor 2009-02-10 2009-06-13 22:05:51 by suntag
    [Vasp&Me ] [求助]频率分析后如何找ZPE (5/448) huangyc 2009-02-15 2009-06-13 22:05:29 by suntag
    [Vasp&Me ] 【求助】vasp中关于k点的设置! (3/701) shxincui518 2009-02-17 2009-06-13 22:04:50 by liuds7792
    [Vasp&Me ] 【求助】vasp结构优化! (4/561) shxincui518 2009-02-17 2009-06-13 22:04:41 by shxincui518
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