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    [热点] JMPT 期刊投稿流程 JOJO路 2025-12-14 刚刚
    [MS] 【求助】机子出问题了 (3/444) jieweiwei 2008-12-04 2008-12-04 21:16:54 by xmc8362
    [Wien2k& ] WIEN2K相关学习材料 (4/363) wangzj 2006-12-01 2008-12-04 20:18:43 by milans7
    [MS] 【求助】如何减小应力及掺杂计算! (0/111) wxyuer 2008-12-04 2008-12-04 19:05:34 by wxyuer
    [MS] 【求助】Windows下CASTEP断电重新计算的具体步骤(确实有用的有重谢!!!!)    ( 1 2 3 ) 50 (评阅+1) (20/1786) wanghongbo0808 2008-07-24 2008-12-04 17:36:47 by xmc8362
    [MS] 【求助】怎么样建立A15晶体结构模型 (1/181) 程伟686 2008-12-03 2008-12-04 15:29:34 by 程伟686
    [MS] 【求助】 请教DMOL3 (3/581) jiawdd 2008-12-03 2008-12-04 14:57:56 by hongchen973
    [Abinit] 【求助】关于偶极矩 (3/529) wwj_0905 2008-11-21 2008-12-04 13:41:10 by zxzj05
    [MS] 【求助】水分子建模】 (2/333) 学员7An9Vu 2008-11-26 2008-12-04 11:43:04 by savagefly
    [MS] 【求助】计算中的问题 (0/116) jieweiwei 2008-12-04 2008-12-04 10:38:07 by jieweiwei
    [MS] MS4.3 License    ( 1 2 ) (86/9925) cyfjkf 2008-06-16 2008-12-04 00:16:53 by nassun
    [Vasp&Me ] 【求助】ISYM设定 (2/271) zhangwj908 2008-12-01 2008-12-03 22:20:50 by huangyc
    [MS] 求Materials Studio 4.3 (评阅-2) (2/314) fluidcloudy 2008-12-03 2008-12-03 19:24:46 by q68
    【求助】castep优化结构出现这样的错误如何解决 (2/164) zzgyb 2008-11-20 2008-12-03 18:32:14 by zdhlover
    【求助】什么是成键反键作用啊。 (评阅+2) (9/1826) jieweiwei 2008-11-26 2008-12-03 17:04:50 by spur
    【求助】MS4.2中的castep能否计算表面吸附小分子的红外光谱 (3/658) xiaowandouer 2008-12-02 2008-12-03 16:48:36 by xiaowandouer
    [MS] 【求助】断电后不能进行计算 (1/85) jieweiwei 2008-12-03 2008-12-03 11:58:05 by xmc8362
    [MS] [咨询]用什么程序包做graphene的电声子耦合比较好 (金币≥5)(3/93) ghzhong 2008-12-03 2008-12-03 11:52:06 by 灯塔守望者
    [MS] 【请教】有关DMol的一些问题 (评阅+1) (2/174) 不眠人 2008-12-02 2008-12-03 11:04:43 by 不眠人
    【求助】如何实现态密度积分 (6/768) dingyongbo 2008-12-01 2008-12-03 10:23:33 by ocean08
    [MS] 求助:平衡态晶格常数 (0/94) szhuoxia 2008-12-03 2008-12-03 09:52:31 by szhuoxia
    【求助】急求怎么修改用户路径下的.bashrc文件 (5/831) penghcp 2008-12-02 2008-12-03 02:00:08 by yalefield
    [Vasp&Me ] 【求助】关于VASP计算能带和态密度的费米能 (评阅+2) (4/714) 小艾丫丫 2008-11-26 2008-12-02 21:25:33 by 小艾丫丫
    [Wien2k& ] 精华IIIWIEN2k关于k网格设置的一些技巧 (11/1588) zzgyb 2007-12-11 2008-12-02 20:45:15 by fansw1129
    【请教】关于dos图问题 (评阅+1) (5/1044) lqxcts 2008-11-22 2008-12-02 20:20:37 by cos60
    [MS] 求助! (评阅-2) (0/48) 亚楠 2008-12-02 2008-12-02 19:25:10 by 亚楠
    【讨论】一个磁矩问题 (9/936) huijiany 2008-12-02 2008-12-02 17:57:15 by cos60
    [其他] [求助]一个简单问题? (0/108) q68 2008-12-02 2008-12-02 17:45:51 by q68
    [Vasp&Me ] [求助]vasp中关于能量的一个问题 (1/180) wenxuan5788 2008-12-02 2008-12-02 17:20:59 by cos60
    [MS] 【求助】关于一个建模的问题(10个金币求助) (0/113) ljyang320 2008-12-02 2008-12-02 14:27:26 by ljyang320
    [其他] 求助 (评阅-2) (1/77) dliangjun 2008-12-02 2008-12-02 14:17:11 by hym5701
    [MS] 【求助】请教用MS跑了动力学的一个问题 (评阅+2) (7/588) hdh912 2008-11-28 2008-12-02 12:57:51 by hdh912
    [MS] 关于聚乙烯的势能曲线 (1/106) wwj_0905 2008-11-18 2008-12-02 10:17:30 by yuerainsea
    【求助】MS如何进行联机计算?    ( 1 2 ) (评阅+1) (15/780) xmc8362 2008-11-21 2008-12-02 09:26:33 by xmc8362
    【求助】请问CASTEP能模拟溶剂效应吗? (评阅+1) (3/515) mengsk 2008-11-26 2008-12-02 08:52:26 by zhengjinde
    [求助]SUSE下安装wien2k (2/199) aliceyu 2007-12-23 2008-12-01 22:39:40 by hym5701
    【求助】为什么我按照教程操作都会计算失败?    ( 1 2 ) (评阅+2) (13/871) cdmc 2008-11-28 2008-12-01 22:16:14 by cdmc
    [MS] 请教一个建模的问题 (评阅-2) (0/129) ljyang320 2008-12-01 2008-12-01 21:07:31 by ljyang320
    【求助】关于Castep中的空带数 (7/798) daisyggg 2008-11-22 2008-12-01 20:08:14 by wuli8
    [MS] 【求助】:态密度图上的峰与能带图上的能级如何对应 (2/517) 苹果落地 2008-12-01 2008-12-01 18:58:48 by aylayl08
    [Vasp&Me ] 【求助】表面功函问题 (0/243) suncc311 2008-12-01 2008-12-01 17:08:48 by suncc311
    [其他] Grid-based projector-augmented wave method(cord) (1/61) he1417 2008-12-01 2008-12-01 12:28:22 by fegg7502
    [其他] CP-Optimizer code (1/40) he1417 2008-12-01 2008-12-01 11:44:09 by fegg7502
    [MS] 【求助】轨道问题 (0/119) effi903 2008-12-01 2008-12-01 11:44:06 by effi903
    [MS] 【求助】为什么我计算的PDOS不能显示替代原子Fe的? (评阅+1) (3/428) xgquanjun 2008-11-29 2008-12-01 10:26:22 by zdhlover
    [MS] 【求助】 MS并行 (4/496) zjuer 2008-11-29 2008-12-01 00:29:10 by kuner
    [MS] 【求助】求Norm-Conserving 赝势 (0/149) he1417 2008-11-30 2008-11-30 23:47:22 by he1417
    [Vasp&Me ] 【求助】PAW_GGA赝势 (评阅+1) (0/197) he1417 2008-11-30 2008-11-30 23:38:34 by he1417
    [其他] 【分享】多体微扰理论之GW近似-简介 (评阅+3) (2/248) donkeypku 2008-11-28 2008-11-30 23:05:56 by Quan.
    [Abinit] [讨论]ABINIT GW修正GGA (评阅+2) (4/624) zxzj05 2008-11-26 2008-11-30 17:57:27 by 天空空
    [Vasp&Me ] [求助]DOSCAR输出控制问题 (评阅+2) (3/447) luolijin 2008-11-29 2008-11-30 17:33:11 by luolijin
    [Vasp&Me ] 【求助】vasp运行问题 (1/172) maoyt77 2008-11-30 2008-11-30 17:24:59 by maoyt77
    [MS] 【求助】 如何将一台8节点的集群当做8个服务器来用?    ( 1 2 ) 39 (10/995) raul0716 2008-11-12 2008-11-30 17:13:48 by wonderflyer
    [Vasp&Me ] 【求助】Ga、Ge的PAW_GGA赝势 (2/123) luolijin 2008-11-29 2008-11-30 17:13:22 by luolijin
    [MS] 【求助】请教计算氢键用什么软件比较好 (0/135) sw-2384 2008-11-30 2008-11-30 15:50:25 by sw-2384
    [Abinit] 【讨论】赝势的选择 (评阅+1) (3/560) 后天一 2008-11-29 2008-11-30 13:47:18 by 灯塔守望者
    [Abinit] 【请教】有人用abinit算电声相互作用的么? (0/191) watermall 2008-11-30 2008-11-30 13:23:52 by watermall
    【求助】origin中的计算    ( 1 2 ) (12/1272) xiaoboy185 2008-08-19 2008-11-30 13:10:44 by zhenlongxu
    [Vasp&Me ] Density of states projected onto the * vacancy! (评阅+1) (2/285) gaofenglili 2008-11-27 2008-11-29 20:50:47 by ApolloYang
    [MS] 【求助】各种扰动的可能性的确定 (评阅+2) (1/93) 紊流 2008-11-27 2008-11-29 13:16:45 by 紊流
    【求助】Linux ms 并行 (0/278) wonderflyer 2008-11-27 2008-11-29 08:04:33 by wonderflyer
    [其他] [讨论]从头算和DFT的区别 (评阅+3) (1/202) freshgirl 2008-11-28 2008-11-28 22:46:30 by madonion
    [Wien2k& ] 【求助】wien2k 中w2web的使用问题 (3/828) wonderflyer 2008-09-22 2008-11-28 19:55:43 by wax54
    【求助】关于H赝势选择 (3/424) channe 2008-10-20 2008-11-28 19:17:44 by zdhlover
    [MS] 【求助】dmol能否做非周期体系的外加压的计算 (1/104) chenzi2010 2008-11-28 2008-11-28 18:19:04 by csfn
    [Wien2k& ] 【求助】wien2k lapw2 运行时的问题 (1/167) wax54 2008-11-28 2008-11-28 16:26:49 by wax54
    [Vasp&Me ] 从声子谱上能看出什么信息? (评阅+2) (1/196) wangqj1 2008-11-27 2008-11-28 15:33:45 by stractor
    【求助】如何从中间结构重新开始新的计算 (2/116) gaussian08 2008-11-28 2008-11-28 14:27:23 by gaussian08
    [MS] 【求助】差分电荷密度图 (0/311) jieweiwei 2008-11-28 2008-11-28 13:43:38 by jieweiwei
    【求助】如何在服务器所有节点上都单独安装MS 6 (评阅+1) (6/652) raul0716 2008-10-07 2008-11-28 12:04:22 by fuzp
    [求助]wien2k出现的问题 (4/458) icwafer 2008-03-17 2008-11-28 10:30:36 by wax54
    [MS] 【求助】castep计算层错能 (0/177) szhuoxia 2008-11-28 2008-11-28 09:50:38 by szhuoxia
    【求助】有做表面吸附得吗?    ( 1 2 ) (14/1215) smazz 2008-06-06 2008-11-28 09:32:07 by fegg7502
    【求助】Castep计算失败原因 (评阅+1) (3/427) jieweiwei 2008-11-01 2008-11-28 09:14:52 by giep2008
    [MS] 那位牛人能够分享一下Materials Studio分子模拟软件应用专题讲座之一和之二啊? (评阅+1) (7/699) hjlyyc 2008-10-16 2008-11-28 08:56:35 by hjlyyc
    [MS] 【求助】Norm-Con赝势 (0/84) he1417 2008-11-28 2008-11-28 02:23:57 by he1417
    [MS] 操作系统 (评阅-2) (7/396) 材料小宝宝 2008-11-25 2008-11-28 00:32:16 by xujc1983
    【求助】寻高手:material Studio能模拟不同厚度薄膜的光学性质吗? 6 (5/483) xibinke 2008-11-19 2008-11-28 00:18:11 by donkeypku
    【求助】多孔吸附剂液体中吸附模拟该用什么模块 (评阅+2) (2/209) 紊流 2008-11-26 2008-11-27 23:22:07 by 紊流
    【求助】吸附中的问题 (2/215) jieweiwei 2008-10-29 2008-11-27 20:49:12 by penny3524
    [MS] 【求助】真空层中模拟表面吸附,用哪个热力学系综? (0/172) mengsk 2008-11-27 2008-11-27 17:11:09 by mengsk
    [MS] 【求助】建模型 (5/410) jinhongyan2009 2008-10-06 2008-11-27 16:45:38 by SHY31
    [MS] 【求助】Dmol3中如何设置带结构的K point (0/142) lxmn 2008-11-27 2008-11-27 16:36:59 by lxmn
    【求助】请问castep如何计算高压下材料的弹性性质啊 3 (6/726) 学员H1RkcJ 2008-11-20 2008-11-27 15:30:36 by zdhlover
    求助:Material Studio 4.3 下载地址 (0/624) zx53376876 2008-11-27 2008-11-27 11:55:39 by zx53376876
    [MS] 【求助】looking for Uranium and Oxygen Norm-Con赝势 (0/73) he1417 2008-11-27 2008-11-27 01:16:53 by he1417
    [MS] 【讨论】能带结构图—图片 (评阅+2) (3/746) jieweiwei 2008-11-25 2008-11-26 20:42:44 by buble
    【求助】结构优化 (5/427) tanxingyi2 2008-11-26 2008-11-26 20:28:52 by woshilaoer
    [MS] [求助]请问如何算交换能J 的值 (1/173) mrhpwu 2008-11-26 2008-11-26 20:16:11 by zdhlover
    [MS] 【求助】r-Al2O3表面结构 (0/186) linglixia 2008-11-26 2008-11-26 19:47:32 by linglixia
    [Vasp&Me ] [求助]请问如何算交换能J 的值 (评阅+1) (0/103) mrhpwu 2008-11-26 2008-11-26 19:24:30 by mrhpwu
    [其他] 【求助】晶格常数变小,禁带宽度变大还是变小? (2/229) xing_bing 2008-11-26 2008-11-26 19:03:31 by yinzhuce
    [MS] [求助]软件编译 2 (评阅+2) (0/86) huangyc 2008-11-26 2008-11-26 18:13:52 by huangyc
    [Abinit] 【讨论】abinit建结构模型 (评阅+2) (3/587) zxzj05 2008-11-26 2008-11-26 16:22:30 by watermall
    【求助】要买工作站了,请广大虫虫们多给建议!    ( 1 2 3 ) 2 (20/1233) mengsk 2008-10-23 2008-11-26 16:16:55 by iamddba
    [Wien2k& ] [求助]wien2k算例 10 (3/490) qwe1997 2008-08-27 2008-11-26 15:04:42 by zxzj05
    【求助】如何从能带和态密度图中得到带隙? 6 (6/891) laiyangmeng 2008-11-22 2008-11-26 12:33:17 by giep2008
    [MS] 【求助】DPD (0/72) 学员7An9Vu 2008-11-26 2008-11-26 10:05:52 by zwenzhi
    [Vasp&Me ] 【求助】哪位虫友能提供一个可用的vasp下载? (7/1401) minbad 2008-05-03 2008-11-26 09:49:39 by superest
    [MS] [求助] 一个表征晶体的参数 (0/109) 好好学习772 2008-11-26 2008-11-26 09:30:58 by 好好学习772
    【求助】用castep计算时出现问题 (评阅+2) (5/634) 苹果落地 2008-11-24 2008-11-26 09:01:37 by giep2008
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