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[热点] 博士延得我,科研能力直往上蹿 偏振片 2026-02-05 刚刚
【求助】vi中怎么全选并复制?    ( 1 2 ) (13/836) huangyc 2009-07-21 2009-08-20 11:07:24 by 123qweasd7962
【求助】 OpenPBS的时间问题 (2/259) ustbmars 2009-02-10 2009-08-20 10:44:19 by 123qweasd7962
【求助】集群PBS作业调度的问题 (1/262) wld0328_17 2009-08-10 2009-08-20 10:40:12 by 123qweasd7962
[MS] 【求助】用castep怎样计算物质的磁性以及每个原子上的磁矩 (2/301) currentyoungman 2009-08-20 2009-08-20 10:38:30 by currentyoungman
【求助】如何区分态密度图中的eg和t2g态,推荐几篇相关文献也可以啊!    ( 1 2 ) (16/1958) sduzl 2008-06-20 2009-08-20 09:56:56 by zzjust
[MS] 【求助】轨道密度 1 (3/343) chenzhao6239 2009-08-06 2009-08-20 08:21:30 by dongdong3881
[其他] 【其他】计模综合版欢迎做表面的朋友 (0/319) wuli8 2009-08-19 2009-08-19 20:05:58 by wuli8
【求助】态密度and能带分析 (9/936) ancunguo 2009-07-22 2009-08-19 19:21:16 by tfh00
[MS] 【求助】请教关于MS中频率的单位问题 (1/329) kejecx 2009-08-18 2009-08-19 18:16:59 by yangkunspace
[MS] 【求助】关于建立二维薄膜结构 (4/348) yangkunspace 2009-08-14 2009-08-19 17:58:08 by yangkunspace
[MS] 【求助】如何计算Raman谱图 (7/849) yding99 2009-08-07 2009-08-19 15:22:15 by stevia
[MS] 【求助】MS计算 (0/130) QQQ9589 2009-08-19 2009-08-19 15:21:34 by QQQ9589
[MS] 【求助】用MS做分子动力学时,怎样进行并行计算 (3/482) mmyuan220 2009-08-06 2009-08-19 15:05:26 by guosy1999
[MS] 【求助】MS4.3安装问题 (0/138) lovemoon 2009-08-19 2009-08-19 10:49:14 by lovemoon
[MS] 【求助】怎么打开castep计算结果中的 .cst_ome文件? 20 (1/179) gkd_0000 2009-08-18 2009-08-19 09:33:22 by gkd_0000
[关贴]【求助】【求助】文献 (1/161) dingyongbo 2009-08-19 2009-08-19 09:06:47 by topten-gg
【讨论】如何计算基态磁化率和磁矩 (8/1266) doudouding 2009-02-18 2009-08-19 08:37:37 by ilyx8050
[Vasp&Me ] 【求助】ISMEAR对费米能级的影响很大!求助    ( 1 2 ) 3 (13/1464) jugengfans 2009-08-18 2009-08-19 02:11:21 by zhao6085
[MS] 【求助】设置原子替位掺杂和空位问题    ( 1 2 ) 2 (14/1194) jiarenxu 2009-07-08 2009-08-18 22:23:43 by yxl7016
[MS] 【求助】算电子空穴有效质量中k点的选择!! 10 (9/1595) magy22 2009-07-13 2009-08-18 21:44:14 by yello
[MS] 【求助】如何修改UNIX下MS计算的临时目录 (2/641) freshgirl 2009-07-17 2009-08-18 20:50:36 by wuli8
[Vasp&Me ] 【讨论】固融的稳定结构? (2/170) yangfangwi 2009-08-18 2009-08-18 20:38:52 by yangfangwi
[MS] 【讨论】单个原子或者离子的能量 10 (5/640) 小臭虫 2009-08-17 2009-08-18 20:38:09 by zxzj05
[QE(Pwsc ] 【原创】Partial charge density(for any band at any k point) (5/1260) xirainbow 2009-08-10 2009-08-18 20:21:07 by xirainbow
[QE(Pwsc ] 【其他】GW模块已发布 (4/485) xirainbow 2009-08-11 2009-08-18 20:20:10 by xirainbow
[Vasp&Me ] 【求助】VASP怎么模拟带电体系(charged system) (3/1360) leoaqu 2009-08-17 2009-08-18 16:37:35 by chuzhaonan
[MS] 【求助】MS安装问题 (4/1526) xiaoboy185 2008-12-07 2009-08-18 15:22:28 by wp198626
[MS] 【求助】用Dmol3优化有机分子的结构,发现优化后的结构明显变形了,怎么办? (1/447) wwj1982770771 2009-08-18 2009-08-18 12:00:54 by topten-gg
【求助】请教linux下安装MS的问题 (5/406) solarman 2009-05-21 2009-08-18 08:36:58 by zzy870720z
[MS] 【求助】水分子轨道能量顺序问题 (3/528) pengge 2009-08-16 2009-08-18 07:59:51 by jluzzw
[MS] 【求助】Cu (100),(110),(111)上的吸附度问题    ( 1 2 ) (12/949) jianxian20 2009-08-05 2009-08-17 23:28:50 by jianxian20
[Vasp&Me ] 【求助】关于能带图的绘制 (2/327) zhao6085 2009-08-15 2009-08-17 22:39:33 by zhao6085
[MS] 【讨论】晶格常数 (7/765) w2056275 2009-08-16 2009-08-17 22:13:22 by yxl7016
[Wien2k& ] 【求助】环境变量设置 (3/468) xiaoqiu007 2009-07-08 2009-08-17 21:42:07 by yjr
[Wien2k& ] 【求助】【求助】如何打开4核CPU?    ( 1 2 ) (10/980) wfbgc 2009-04-18 2009-08-17 20:55:07 by chuzhaonan
[MS] 【讨论】castep跟别的软件相比缺点在哪, castep计算结果可靠吗 (8/1403) gkd_0000 2009-08-13 2009-08-17 20:38:51 by 老虎大王
[MS] 【求助】castep硬度计算    ( 1 2 3 ) (21/1760) 海涛2713 2009-06-04 2009-08-17 20:36:32 by guitar2033
[MS] 【求助】dmol中模型考虑电场 (7/469) fangyongxinxi 2009-08-17 2009-08-17 20:13:27 by topten-gg
[QE(Pwsc ] 【求助】怎样做声子的分波态密度? (1/563) xinqing98 2009-08-17 2009-08-17 18:33:12 by lfhuang
【求助】请问怎么计算CdS晶体的结合能 (0/217) yxl7016 2009-08-17 2009-08-17 17:29:26 by yxl7016
[Vasp&Me ] 【讨论】vasp算磁性体系的弛豫问题 (评阅+2) (5/1022) p.k.g 2009-08-12 2009-08-17 16:18:33 by yello
[其他] 【分享】很好的计算参考书:Computational Nanoscience Do It Yourself    ( 1 2 ) (53/2743) zxdai 2009-08-10 2009-08-17 11:35:10 by Eileen7600
[MS] 【讨论】自旋极化以及分析    ( 1 2 ) (评阅+2) (15/2515) jieweiwei 2008-11-27 2009-08-17 10:24:14 by ilyx8050
[MS] 【求助】计算能带结构时出现错误    ( 1 2 ) (10/686) 顺水 2009-08-15 2009-08-17 09:10:43 by condensed
[MS] 【转帖】光学计算问题交流讨论 (2/834) 顺水 2009-08-16 2009-08-17 08:54:01 by awmc2008
[MS] 【求助】请教DOML3中的电荷密度图存储文件是什么扩展名的? (6/438) bhcsmay 2009-08-16 2009-08-17 08:32:35 by bhcsmay
【求助】MS 结构优化    ( 1 2 ) (14/1579) he1417 2008-12-17 2009-08-16 19:30:22 by chuzhaonan
[其他] 【讨论】双操作系统安装成功    ( 1 2 3 ) (评阅+2) (20/1047) yxcai 2009-08-07 2009-08-16 19:27:11 by chuzhaonan
[MS] 【求助】西安有没有做计算材料的牛人?谢谢大家    ( 1 2 ) (11/790) 学员0sHCiU 2009-07-02 2009-08-16 13:35:50 by guifan
[QE(Pwsc ] 【原创】pwscf软件4.1最新版 (评阅+8) (2/788) chuzhaonan 2009-08-14 2009-08-16 11:14:28 by hakuna
[Vasp&Me ] 【求助】【求助】VASP中的ENCUT的默认值是多少呀    ( 1 2 ) (12/2033) wmm-11 2009-08-09 2009-08-16 00:24:59 by quantumfang
[QE(Pwsc ] 【原创】几个物理问题的简介及其原始文章罗列 (0/1247) lfhuang 2009-08-15 2009-08-15 20:36:52 by lfhuang
[MS] 【求助】请教问题,my computer链接不上,远程可用 (6/917) xiaosi8758 2009-08-13 2009-08-15 14:37:50 by shqshq
[MS] 【求助】请教O,N的单个原子能量怎么计算    ( 1 2 ) (15/1858) kangli8165 2009-07-27 2009-08-15 14:33:03 by 375713000
[Vasp&Me ] 【求助】探讨一下vasp studio的用法 (8/649) cathy-zhang7777 2009-08-13 2009-08-15 13:04:06 by cathy-zhang7777
[MS] 【求助】有没有研究储氢方面的? (6/458) 肖明珠 2009-08-12 2009-08-15 12:46:36 by vincentchu
[MS] 【求助】急求,Materials Studio gateway出错 (8/2277) guoyuming 2009-06-13 2009-08-15 11:24:05 by shqshq
[MS] 【求助】DOS中的t2g和eg分别是什么啊?    ( 1 2 ) (17/4528) crante 2009-07-20 2009-08-15 08:58:03 by chuzhaonan
[QE(Pwsc ] 【求助】为什么做出的DOS图会有拖尾呢?    ( 1 2 ) (10/925) 想念你的歌27 2009-08-12 2009-08-14 20:20:40 by lfhuang
[MS] 【求助】纤锌矿CdSe的原子坐标,晶格常数 (1/321) 253513140 2009-08-13 2009-08-14 19:04:55 by zxdai
[MS] 【求助】如何做partial charge density的图 (3/718) freshgirl 2009-08-04 2009-08-14 18:58:53 by Huanhuan5360
[MS] 【讨论】布里渊区的选取与选取原则? (0/308) lindlar0078 2009-08-14 2009-08-14 16:41:28 by lindlar0078
[MS] 【求助】MS学习班问题    ( 1 2 ) (11/986) shelay 2009-07-23 2009-08-14 10:52:16 by meimeinn
[MS] 【求助】Castep 计算碳纳米管的周期性问题 (4/479) gaussian08 2009-07-31 2009-08-14 10:49:44 by meimeinn
[MS] 【求助】MS构建晶体模型问题 (3/541) yeahnet 2009-08-02 2009-08-14 10:47:39 by meimeinn
[MS] 【讨论】原子磁矩 (评阅+2) (8/2199) lxrui 2009-08-02 2009-08-14 10:42:02 by meimeinn
[MS] 【求助】关于几何优化中的两个问题,求助 (3/542) 学员TtYAjP 2009-08-03 2009-08-14 10:39:47 by meimeinn
[MS] 【讨论】请教DMol3模块里的dynamics是不是从头算动力学? (评阅+1) (7/736) xiao2008zhu 2009-08-02 2009-08-14 10:36:18 by meimeinn
[MS] 【求助】表面计算 (6/480) qingsong2262 2009-08-04 2009-08-14 10:33:25 by meimeinn
[MS] 【求助】一些基本的问题 (9/650) hzy900211 2009-08-05 2009-08-14 10:15:36 by meimeinn
[MS] 【求助】求助电子密度差分图怎么画呢 1 (8/871) w2056275 2009-08-09 2009-08-14 09:57:55 by meimeinn
[MS] 【求助】如何设置CASTEP中的平面波截断能 (5/1515) 2007000491 2009-08-11 2009-08-14 09:39:40 by meimeinn
[MS] 【求助】请教CASTEP计算如O,N的原子自由能 (2/402) kangli8165 2009-07-27 2009-08-14 09:37:34 by meimeinn
[MS] 【求助】dmol3加电场的单位是什么? (5/1243) gavinliu7390 2009-08-10 2009-08-14 09:33:33 by meimeinn
[MS] 【求助】表面建模问题    ( 1 2 ) (10/736) hczheng899 2009-08-13 2009-08-14 09:10:06 by meimeinn
[Abinit] 【求助】各种赝势的区别    ( 1 2 ) (评阅+1) (11/1938) wenyun0876 2008-12-18 2009-08-14 01:09:03 by 暴风雪8788
[MS] 【讨论】何谓“平衡晶格常数”? (5/786) lindlar0078 2009-08-13 2009-08-13 22:13:52 by lei0736
[Wien2k& ] 【分享】文献 (1/435) sandongyuwang 2009-08-13 2009-08-13 20:50:04 by wuli8
[Wien2k& ] 【分享】资料 (4/668) sandongyuwang 2009-08-13 2009-08-13 20:44:52 by wuli8
[MS] 【求助】communication failure怎么处理 (7/612) jiawdd 2009-07-20 2009-08-13 20:36:46 by topten-gg
[MS] 【求助】ms4.2 liunx下出错 (3/760) yulifto 2009-05-08 2009-08-13 20:00:39 by zhengjinde
[MS] 【求助】rigid band model是什么? 1 (0/685) shelay 2009-08-13 2009-08-13 17:55:41 by shelay
[MS] 【讨论】MS中的LDA+U几何优化 15 (6/1066) encke 2009-08-04 2009-08-13 15:33:33 by jluzzw
[MS] 【讨论】4.4和4.0竟然有区别    ( 1 2 ) (18/1226) ct417 2009-06-03 2009-08-13 13:24:29 by chensxxy
[MS] 【求助】轨道图的画法 (8/755) hxwyy2005 2009-06-24 2009-08-13 12:30:35 by chuzhaonan
[MS] 【求助】cestep里的LDA方法问题 (2/275) psichologist 2009-08-11 2009-08-12 23:55:51 by hadone
[MS] 【求助】如何根据第一性原理计算结果来获得MD需要的势参数? (5/569) tanloer 2009-08-11 2009-08-12 21:59:35 by tanloer
【求助】如何构建TiO2 cluster 10 (1/266) 沉默是金8138 2009-08-12 2009-08-12 20:42:49 by 沉默是金8138
[MS] 【求助】优化几十个原子体系后怎么得到优化后原子的XYZ的坐标?    ( 1 2 ) 7 (17/947) positron 2009-07-30 2009-08-12 17:46:05 by zhangsong8836
[MS] 【求助】Material studio是否可以计算有机物分子的标准生成焓?    ( 1 2 ) 6 (14/1805) cometring 2009-08-04 2009-08-12 15:28:30 by 弦犹在耳
[MS] 【求助】MS4.4或4.3license (1/285) mmyuan220 2009-08-06 2009-08-12 14:08:48 by chensxxy
[Wien2k& ] 【讨论】BoltzTrap (9/1304) ylyan 2009-07-13 2009-08-12 13:13:17 by gkd_0000
[Vasp&Me ] 【求助】vasp势的区别 5 (9/696) simone389 2009-06-11 2009-08-12 11:15:58 by quantumfang
【求助】红帽子AS5U3的显卡安装问题 (7/743) phenols 2009-07-23 2009-08-12 11:14:13 by phenols
[Siesta& ] 【分享】Updated packages ATK 2009.06 (评阅+2) (0/377) lxmn 2009-08-12 2009-08-12 09:48:08 by lxmn
[Vasp&Me ] 【求助】magnetization的说明    ( 1 2 ) (14/1011) nkleof 2009-08-05 2009-08-12 07:19:04 by twister
[MS] 【求助】【求助】如何看ourmol中单个原子对结构总轨道的贡献呢 (0/116) wmm-11 2009-08-11 2009-08-11 19:03:00 by wmm-11
[MS] 【求助】晶体结构中多面体的建立问题 (6/479) 学员TtYAjP 2009-08-09 2009-08-11 15:34:16 by awmc2008
[Abinit] 【讨论】PAW赝势问题 (2/354) baoer3808 2009-08-10 2009-08-11 12:04:02 by beyondstar
[Siesta& ] 【分享】如何运行命令式脚本 (评阅+3) (1/445) fangyongxinxi 2009-08-09 2009-08-11 08:29:27 by fangyongxinxi
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