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    [热点] 请问2026国家基金面上项目会启动申2停1吗 锦衣卫寒战 2025-12-08 刚刚
    【求助】vi中怎么全选并复制?    ( 1 2 ) (13/806) huangyc 2009-07-21 2009-08-20 11:07:24 by 123qweasd7962
    【求助】 OpenPBS的时间问题 (2/244) ustbmars 2009-02-10 2009-08-20 10:44:19 by 123qweasd7962
    【求助】集群PBS作业调度的问题 (1/252) 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 (2/287) 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 ) (16/1835) sduzl 2008-06-20 2009-08-20 09:56:56 by zzjust
    [MS] 【求助】轨道密度 1 (3/334) 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 (0/316) wuli8 2009-08-19 2009-08-19 20:05:58 by wuli8
    【求助】态密度and能带分析 (9/887) 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 (1/314) 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 (4/334) yangkunspace 2009-08-14 2009-08-19 17:58:08 by yangkunspace
    [MS] 【求助】如何计算Raman谱图 (7/771) yding99 2009-08-07 2009-08-19 15:22:15 by stevia
    [MS] 【求助】MS计算 (0/127) 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 (3/461) mmyuan220 2009-08-06 2009-08-19 15:05:26 by guosy1999
    [MS] 【求助】MS4.3安装问题 (0/132) 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 (1/174) gkd_0000 2009-08-18 2009-08-19 09:33:22 by gkd_0000
    [关贴]【求助】【求助】文献 (1/148) 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 (8/1251) 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 (13/1411) 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 (14/1115) 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 (9/1571) 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 (2/595) freshgirl 2009-07-17 2009-08-18 20:50:36 by wuli8
    [Vasp&Me ] 【讨论】固融的稳定结构? (2/156) 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 (5/619) 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) (5/1199) xirainbow 2009-08-10 2009-08-18 20:21:07 by xirainbow
    [QE(Pwsc ] 【其他】GW模块已发布 (4/467) 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) (3/1311) leoaqu 2009-08-17 2009-08-18 16:37:35 by chuzhaonan
    [MS] 【求助】MS安装问题 (4/1460) 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? (1/443) 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 (5/380) 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 (3/496) 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 ) (12/914) jianxian20 2009-08-05 2009-08-17 23:28:50 by jianxian20
    [Vasp&Me ] 【求助】关于能带图的绘制 (2/306) zhao6085 2009-08-15 2009-08-17 22:39:33 by zhao6085
    [MS] 【讨论】晶格常数 (7/719) w2056275 2009-08-16 2009-08-17 22:13:22 by yxl7016
    [Wien2k& ] 【求助】环境变量设置 (3/462) 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 ) (10/934) 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 (8/1314) 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 ) (21/1710) 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 (7/451) 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? (1/549) 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 (0/215) 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) (5/964) 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 ) (53/2667) 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) (15/2446) 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 ) (10/665) 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 (2/826) 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? (6/420) bhcsmay 2009-08-16 2009-08-17 08:32:35 by bhcsmay
    【求助】MS 结构优化    ( 1 2 ) (14/1528) 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) (20/957) 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 ) (11/746) 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) (2/777) 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 ) (12/1997) 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 (0/1202) 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 (6/825) 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 ) (15/1808) 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 (8/632) 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? (6/440) 肖明珠 2009-08-12 2009-08-15 12:46:36 by vincentchu
    [MS] 【求助】急求,Materials Studio gateway出错 (8/2117) 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 ) (17/4232) 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 ) (10/900) 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 (1/312) 253513140 2009-08-13 2009-08-14 19:04:55 by zxdai
    [MS] 【求助】如何做partial charge density的图 (3/695) 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? (0/300) lindlar0078 2009-08-14 2009-08-14 16:41:28 by lindlar0078
    [MS] 【求助】MS学习班问题    ( 1 2 ) (11/960) 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 (4/451) gaussian08 2009-07-31 2009-08-14 10:49:44 by meimeinn
    [MS] 【求助】MS构建晶体模型问题 (3/495) yeahnet 2009-08-02 2009-08-14 10:47:39 by meimeinn
    [MS] 【讨论】原子磁矩 (评阅+2) (8/2120) 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 (3/524) 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) (7/699) xiao2008zhu 2009-08-02 2009-08-14 10:36:18 by meimeinn
    [MS] 【求助】表面计算 (6/463) qingsong2262 2009-08-04 2009-08-14 10:33:25 by meimeinn
    [MS] 【求助】一些基本的问题 (9/582) 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 (8/836) 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 (5/1510) 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 (2/381) 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? (5/1208) gavinliu7390 2009-08-10 2009-08-14 09:33:33 by meimeinn
    [MS] 【求助】表面建模问题    ( 1 2 ) (10/702) 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) (11/1792) 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”? (5/768) lindlar0078 2009-08-13 2009-08-13 22:13:52 by lei0736
    [Wien2k& ] 【分享】文献 (1/423) sandongyuwang 2009-08-13 2009-08-13 20:50:04 by wuli8
    [Wien2k& ] 【分享】资料 (4/650) sandongyuwang 2009-08-13 2009-08-13 20:44:52 by wuli8
    [MS] 【求助】communication failure怎么处理 (7/583) jiawdd 2009-07-20 2009-08-13 20:36:46 by topten-gg
    [MS] 【求助】ms4.2 liunx下出错 (3/692) 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 (6/1026) 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 ) (18/1173) ct417 2009-06-03 2009-08-13 13:24:29 by chensxxy
    [MS] 【求助】轨道图的画法 (8/703) hxwyy2005 2009-06-24 2009-08-13 12:30:35 by chuzhaonan
    [MS] 【求助】cestep里的LDA方法问题 (2/261) 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? (5/553) tanloer 2009-08-11 2009-08-12 21:59:35 by tanloer
    【求助】如何构建TiO2 cluster 10 (1/261) 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 (17/927) 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 (14/1763) cometring 2009-08-04 2009-08-12 15:28:30 by 弦犹在耳
    [MS] 【求助】MS4.4或4.3license (1/270) mmyuan220 2009-08-06 2009-08-12 14:08:48 by chensxxy
    [Wien2k& ] 【讨论】BoltzTrap (9/1261) ylyan 2009-07-13 2009-08-12 13:13:17 by gkd_0000
    [Vasp&Me ] 【求助】vasp势的区别 5 (9/666) 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 (7/715) phenols 2009-07-23 2009-08-12 11:14:13 by phenols
    [Siesta& ] 【分享】Updated packages ATK 2009.06 (评阅+2) (0/365) lxmn 2009-08-12 2009-08-12 09:48:08 by lxmn
    [Vasp&Me ] 【求助】magnetization的说明    ( 1 2 ) (14/958) 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 (0/115) 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 (6/450) 学员TtYAjP 2009-08-09 2009-08-11 15:34:16 by awmc2008
    [Abinit] 【讨论】PAW赝势问题 (2/340) 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) (1/438) fangyongxinxi 2009-08-09 2009-08-11 08:29:27 by fangyongxinxi
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