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    [热点] 请问哪里可以有青B申请的本子可以借鉴一下。 ZZ_Han 2025-12-12 刚刚
    [MS] 【求助】MS中能否求得流体的物理性质? (5/434) sunxiao 2009-05-05 2009-05-18 21:13:23 by sunxiao
    [MS] 【求助】差分电荷密度图作图问题 (2/433) 2007000492 2009-05-18 2009-05-18 19:51:42 by 2007000492
    [Wien2k& ] 【求助】求助超级计算机配置的建议 (8/620) wysong 2009-04-16 2009-05-18 19:26:04 by wysong
    [MS] 【转帖】AlN自旋与磁性分析 (系列六) (12/575) q68 2009-05-16 2009-05-18 18:30:32 by NKDMS
    [MS] 【求助】50个金币求助ms4.4 linux安装 (4/455) donkeypku 2009-05-17 2009-05-18 18:02:42 by ilyx8050
    [MS] 【求助】如何分析 (0/120) shaopeng6539 2009-05-18 2009-05-18 17:35:49 by shaopeng6539
    [MS] 【求助成功】Ir的单个原子能量计算 (6/1132) ilyx8050 2009-05-14 2009-05-18 17:33:55 by ilyx8050
    [MS] 【求助】如何算 (0/84) shaopeng6539 2009-05-18 2009-05-18 17:33:45 by shaopeng6539
    [MS] 【求助】总的分子偶极矩怎么计算出来 (1/211) wwj_0905 2009-05-18 2009-05-18 15:21:55 by wwj_0905
    [其他] 【求助】有关赝势的问题 (9/503) xiaoxue7002 2009-05-18 2009-05-18 14:51:49 by zxzj05
    [Siesta& ] 【求助】VNL中两电极原子固定的问题 (3/418) iamddba 2009-04-29 2009-05-18 14:21:56 by iamddba
    [MS] 【求助】MS中的Mesotek模块 (1/219) sunxiao 2009-05-18 2009-05-18 11:29:19 by sunxiao
    [Wien2k& ] 【求助】博士调剂求助    ( 1 2 ) (12/871) fengzb 2009-05-10 2009-05-18 10:55:09 by Wanghui6383
    [MS] [求助]forcite和Adsorption Locator不能用,怎么办 (1/199) pollyan 2009-05-12 2009-05-18 10:02:07 by pollyan
    【求助】怎样用PWscf计算拉曼谱 (5/662) xixi1007 2008-06-11 2009-05-18 09:36:22 by xiaohui8882
    [Vasp&Me ] 【求助成功】求教如何画态密度图? (3/731) p.k.g 2009-05-17 2009-05-18 09:34:35 by ron_hai
    [MS] 【求助】castep加电场 (9/613) wwj_0905 2009-05-13 2009-05-18 09:27:40 by wwj_0905
    [MS] 【求助】安装MS4.4后不能计算,请高手指点 (2/179) wallace5225 2009-05-17 2009-05-17 22:41:57 by wallace5225
    [其他] 【求助成功】静电相互作用能和电子的交换-关联能有什么区别? (3/667) czh5937 2009-05-14 2009-05-17 20:19:30 by mozhui
    [Wien2k& ] 【求助】Wien2k出错 (2/243) jghe 2009-05-17 2009-05-17 20:07:44 by jghe
    [Vasp&Me ] 【求助】编译问题 (5/483) 405963512 2009-05-16 2009-05-17 19:16:51 by marklau
    [Vasp&Me ] 【求助】VASP结构弛豫不收敛的问题    ( 1 2 ) (10/2037) stractor 2009-05-14 2009-05-17 14:22:57 by cbFeng200881
    [Vasp&Me ] 【讨论】老帖子存档区为什么进不去? (评阅+1) (0/137) 405963512 2009-05-17 2009-05-17 13:46:24 by 405963512
    【求助】【求助】在MS中如何构建Si(100)-2×1表面 (4/677) lcl211 2009-05-12 2009-05-17 10:05:32 by lcl211
    【求助成功】请教大家第一性原理能否用来计算化合物的吉布斯自由能 (7/1644) chenyang17 2009-04-22 2009-05-17 01:20:57 by awmc2008
    [Vasp&Me ] 【求助】MD中POTIM如何设置 3 (1/150) zhangwj908 2009-05-13 2009-05-17 00:44:28 by zeoliters
    【求助成功】关于dipole moment (6/559) wwj_0905 2009-05-11 2009-05-16 23:09:28 by wwj_0905
    [其他] 【分享】《固体能带理论》谢希德陆栋 (14/3354) wuli8 2008-11-21 2009-05-16 21:32:09 by amoxyz
    [MS] 【求助】恳求:castep吸附的位置问题    ( 1 2 ) (18/1377) cmyy1988 2009-05-12 2009-05-16 17:57:50 by nright
    [MS] 【求助】ms 中的 费米能单位是什么啊? (1/217) aliuqi 2009-05-16 2009-05-16 15:21:54 by sars518
    【求助】请问再castep里怎么样设置计算出来的光学性质能显示出TiO2的各向异性 (6/786) 程伟686 2008-10-06 2009-05-16 12:17:11 by ilyx8050
    [Vasp&Me ] 【求助】求助 用p4vasp处理能带 (4/647) liluyan 2009-05-08 2009-05-16 11:10:06 by liluyan
    [Vasp&Me ] 【求助】vasp运行时的问题 (5/540) shitou8808 2009-05-11 2009-05-16 10:20:44 by shitou8808
    【求助】关于如何从吸收谱得到带隙的问题 (6/650) sunyukui 2009-05-10 2009-05-16 08:41:58 by sunyukui
    [MS] 【求助】请问如何模拟金属的融化 (2/169) li_xinjiang 2009-05-06 2009-05-16 08:00:14 by ganlh
    [Vasp&Me ] 【求助成功】关于VASP测试的命令输入 (7/898) 小艾丫丫 2009-05-04 2009-05-16 01:02:16 by liangab_234620
    [Vasp&Me ] 【求助】mkl最新版? (1/113) 405963512 2009-05-15 2009-05-15 23:15:56 by tjpm
    【求助成功】如果把castep计算的结果导入origin作图 (6/902) justinjlc 2009-05-13 2009-05-15 21:50:34 by sars518
    [MS] 【求助】gateway test    ( 1 2 ) (10/839) cqgzc 2009-05-08 2009-05-15 20:59:39 by zczc6
    【求助】使用DMOL3,如何进行并行运算 (1/173) sdzll 2009-05-15 2009-05-15 19:39:26 by zdhlover
    [MS] 【求助】[code]MS4.4 for linux中‘run in parallel on of 2 processors' 是灰色的[/ 1 (0/137) buddy_84 2009-05-15 2009-05-15 18:10:58 by buddy_84
    [Vasp&Me ] 【求助】寻求VASP安装帮助 (6/342) marklau 2009-05-15 2009-05-15 17:37:42 by marklau
    [Abinit] 【讨论】abinit群:87118875,希望各位高手加入讨论 (评阅+1) (2/181) xiaohunhun 2009-05-14 2009-05-15 16:09:03 by xiaohunhun
    [MS] 【求助】金属间化合物Cr3Ni2 和CrCo的material studio中可用的晶体结构 (2/153) aliuqi 2009-05-15 2009-05-15 15:17:18 by aliuqi
    [Vasp&Me ] 【求助】用VASP寻找过渡态    ( 1 2 ) (10/1184) longchang 2009-05-14 2009-05-15 14:47:12 by longchang
    [Vasp&Me ] 【求助】vasp 表面建模,原子固定 (6/886) ice_rain 2009-04-23 2009-05-15 14:42:14 by positron
    [MS] 【求助】discover运行问题,请高手帮忙,谢谢!!!    ( 1 2 ) (16/583) laohaoren2802 2009-04-28 2009-05-15 14:13:14 by qasd
    [MS] 【求助】振动分析 (3/276) shaopeng6539 2009-05-11 2009-05-15 14:09:02 by jnjnsun
    [MS] 【求助】materials studio 4.0软件安装询问 (4/512) luckyhf 2009-05-08 2009-05-15 12:57:10 by guosy1999
    [其他] 【求助】[求助]电子的平均自由程为多少纳米? (3/479) zxc508 2009-05-09 2009-05-15 12:34:50 by zxc508
    [MS] 【求助】discover的问题! (5/305) QQQ9589 2009-04-27 2009-05-15 11:23:14 by 点点儿
    [MS] 【求助】Focite/Discover径向分布函数 (2/266) 点点儿 2009-05-15 2009-05-15 10:43:43 by 点点儿
    [MS] 【求助】有介绍COMPASS力场中各个参数的设置定义的文献或书籍吗? (5/653) Eileen7600 2009-05-14 2009-05-15 10:24:22 by Eileen7600
    [MS] 【求助】MS安装后的License Test测试是正确的么? (4/518) positron 2009-05-14 2009-05-15 10:05:04 by awmc2008
    [Vasp&Me ] 【求助】脚本程序怎么用 (5/680) ddang100 2009-05-14 2009-05-15 10:04:01 by ddang100
    [Vasp&Me ] 【求助】布里渊区高对称点如何得到 (2/307) 405963512 2009-05-14 2009-05-15 09:49:48 by awmc2008
    [MS] 【求助】请问在CASTEP里面怎么设置铁磁和反铁磁? 2 (0/153) crante 2009-05-15 2009-05-15 09:20:18 by crante
    [Vasp&Me ] 【求助】VASP一个错误提示? (5/498) simone389 2009-05-10 2009-05-15 07:48:55 by veryman
    [Vasp&Me ] 【求助】求助VASP能带计算选择K点路径 (7/2402) pingguo802929 2009-04-02 2009-05-14 23:10:51 by wuxinxing1
    [Vasp&Me ] 【求助】如何显示3D spin density    ( 1 2 ) (12/887) xiaowenzhi16 2009-05-13 2009-05-14 22:54:58 by mywai520
    [Vasp&Me ] 【求助】求STM3 软件 (2/147) yunfan951 2009-05-10 2009-05-14 22:53:01 by yunfan951
    [Vasp&Me ] 【求助】vasp计算分子能带 (6/765) 405963512 2009-05-13 2009-05-14 21:34:54 by 405963512
    [MS] 【求助】MS晶胞原子种类和个数的统计 (5/1463) cqgzc 2009-05-14 2009-05-14 21:09:30 by cqgzc
    [MS] 【求助】晶体的电子逸出功用什么计算? (2/202) aliuqi 2009-05-14 2009-05-14 17:02:28 by aliuqi
    [MS] 【求助】表面 (3/369) xuelin8028 2009-05-12 2009-05-14 16:35:05 by xuelin8028
    [其他] 【分享】一篇DFT理论综述 (28/2124) nofrunolif 2009-05-12 2009-05-14 16:18:05 by lyu_lee
    [其他] 【求助】怎样得到晶体的带隙(Gap) (5/295) zhangyunli 2009-05-13 2009-05-14 15:32:28 by wuli8
    [Siesta& ] 【求助】如何用VNL建立周期性模型,并优化结构 (1/201) sunray55 2009-05-13 2009-05-14 15:21:22 by sunray55
    [MS] 【求助成功】关于自旋轨-道耦合的问题 (4/489) dongdong3881 2009-05-13 2009-05-14 15:04:47 by dongdong3881
    [Vasp&Me ] 【求助】请问为什么我算出来总能与稳态、亚稳态体系不符合    ( 1 2 ) (11/1353) 小艾丫丫 2009-05-12 2009-05-14 13:46:31 by sars518
    [其他] 【求助】谁有dftb的参数文件? (3/476) ghfan 2009-03-28 2009-05-14 10:39:23 by bingbing197
    [MS] 【求助】Ir的单个原子能量计算 (0/142) ilyx8050 2009-05-14 2009-05-14 10:35:58 by ilyx8050
    [MS] 【求助】分子建模 (0/98) wwj_0905 2009-05-14 2009-05-14 10:34:01 by wwj_0905
    [MS] 【求助】关于电位移 (3/400) wwj_0905 2009-05-12 2009-05-14 09:25:25 by wwj_0905
    [MS] 【求助】gateway问题 (0/191) shaopeng6539 2009-05-14 2009-05-14 09:25:17 by shaopeng6539
    [其他] 【求助】热碱液的反应 (0/89) zitongtong 2009-05-14 2009-05-14 09:19:39 by zitongtong
    [Vasp&Me ] 【求助】vasp计算有机分子 (2/270) 405963512 2009-05-13 2009-05-14 09:08:09 by 405963512
    [MS] 【求助】已解决10金币急求请问如何用CASTEP分析介电常数 (3/420) ilyx8050 2009-05-13 2009-05-14 07:50:11 by ilyx8050
    [MS] 【讨论】4.4 的gateway刷新有问题? (0/136) fuzp 2009-05-14 2009-05-14 07:23:05 by fuzp
    [MS] 【求助】大家一般找计算方面的文献在那个数据库里查哦?? (3/277) yinsong810 2009-05-13 2009-05-14 02:02:28 by saitou
    [MS] 【求助】关于结构优化 (3/399) yzhou44 2009-05-13 2009-05-14 01:14:37 by yzhou44
    【求助】求 第一性原理计算涉及到的理论    ( 1 2 ) (11/1135) wen_dao 2009-05-12 2009-05-14 01:08:45 by mozhui
    [MS] 【求助】如何做晶体表面相互作用?(10金) (0/126) evan_lv 2009-05-13 2009-05-13 23:44:00 by evan_lv
    【讨论】配集群或服务器,请大家多给建议 (1/185) hchfox 2009-05-13 2009-05-13 22:12:38 by wuli8
    [MS] 【求助】求助~~MD模拟的MIN功能应用    ( 1 2 ) (10/534) lizhaozhang 2009-05-11 2009-05-13 20:09:02 by qasd
    【求助】:关于介电常数的模拟?    ( 1 2 ) (14/1008) xutianjun 2009-03-01 2009-05-13 19:49:28 by xing446
    [Vasp&Me ] 【求助】关于求d带中心的问题 (1/435) yuer7133 2009-05-13 2009-05-13 19:40:49 by huangyc
    [Wien2k& ] 【求助】优化后的晶格常数 (5/470) smileguang 2009-05-12 2009-05-13 19:21:52 by longmei_cn
    【求助成功】请教CASTEP光学性质分析 (6/873) hxqiuling 2008-08-15 2009-05-13 18:26:41 by ilyx8050
    [Siesta& ] 【求助】vnl两电极角度的问题! (4/272) qqquser 2009-05-11 2009-05-13 14:43:24 by anyipeng
    【求助】Material-studio 4.4 for Windows 安装问题 (6/723) zch203755 2009-03-29 2009-05-13 14:37:10 by positron
    [Vasp&Me ] 【求助】[VASP] dos-procar的使用问题 (1/409) blueiker 2009-05-13 2009-05-13 14:10:19 by hchfox
    【求助】build layers    ( 1 2 ) (11/848) w2056275 2009-05-11 2009-05-13 14:03:21 by hchfox
    [MS] 【求助】【求助】MS安装 (7/492) cambdream 2009-05-13 2009-05-13 13:51:30 by cambdream
    【求助】castep    ( 1 2 ) (10/590) wwj_0905 2009-05-11 2009-05-13 13:27:49 by wwj_0905
    [MS] 【求助】3c-sic(111)的布里渊区高对称点? (0/130) jinhongyan2009 2009-05-13 2009-05-13 09:14:24 by jinhongyan2009
    【求助】求助castep计算DOS的问题    ( 1 2 ) (11/893) shenxianshifu 2009-05-10 2009-05-12 22:47:15 by cenwanglai
    【求助】请教大家,下面这个问题怎么解决? (5/1020) 学员Zi0BWe 2009-05-11 2009-05-12 22:17:55 by wuchenwf
    [QE(Pwsc ] 【求助】phonon calculation (2/560) 伊日桂 2009-05-11 2009-05-12 21:10:32 by 伊日桂
    [其他] 【分享】theoretical Modeling and Simulation of Nanostructures (2/110) y1ding 2009-05-12 2009-05-12 20:07:13 by jghe
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