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[热点] Applied Surface Science 这个期刊。有哪位虫友投过的能把word模板发给我参考一下嘛 物理学_gyt 2025-12-20 刚刚
[已完结]ms的输入文件格式 (1/477) lei234 2012-04-18 2012-04-18 09:25:50 by zzy870720z
[Vasp&Me ] [已完结]请教bader分析中FFT grid (NGXF, NGYF, and NGZF)的设置    ( 1 2 3 ) (24/4153) lgxyz 2011-09-28 2012-04-18 09:20:54 by lgxyz
[Vasp&Me ] [已完结]band图在K点处断开了,想问一下是哪里的问题,怎么解决?    ( 1 2 ) (11/912) sswfnydx 2012-04-15 2012-04-18 08:24:52 by chenweiguang
[Wien2k& ] [已完结]wien2k的使用 (2/561) liyanliyan 2012-04-07 2012-04-18 08:11:45 by liyanliyan
[MS] [已完结]氧化锌与石墨烯交界面能做些什么类型的计算结果?    ( 1 2 ) (12/2739) jinzhulin000 2011-05-04 2012-04-18 06:19:42 by gougou531
[Wien2k& ] [已完结]wien2k中在w2web中如何显示能带结构? (4/1616) 静@思 2012-04-10 2012-04-18 05:07:04 by condensed
[Vasp&Me ] [已完结]H原子 在Al2O3 晶体中掺杂, Kpoints 设置 (6/1451) bjmaowei25 2012-04-17 2012-04-17 23:29:35 by ahu1221
[MS] [已完结]电荷密度等高线怎么画 求具体步骤 (1/444) tzl728 2012-04-17 2012-04-17 22:50:51 by shmilylxc
[Wien2k& ] [已完结]Elk与QE联合使用,是否可行?    ( 1 2 ) (10/1829) tanloer 2012-04-15 2012-04-17 22:05:29 by tanloer
[Abinit] [已完结]Abinit中原胞及惯用晶胞和K点之间的关系 (2/920) lei0819 2012-04-16 2012-04-17 18:06:26 by lei0819
[MS] [已完结]MS建模问题交流和求助 (0/509) farfaraway08 2012-04-17 2012-04-17 15:09:38 by farfaraway08
[MS] [已完结]MS中复制粘贴及相对旋转 (4/1157) 叮叮咚咚咚 2012-04-05 2012-04-17 15:00:58 by farfaraway08
[MS] [已完结]求助MS5.0的license,非常感谢 (1/332) hwllwg8506 2012-04-17 2012-04-17 14:54:44 by kingway007
[其他] [已完结]帮忙看一下吉林大学马琰铭老师这篇关于热电计算的文章,期待和感谢    ( 1 2 ) (11/2905) 信任开花 2012-04-08 2012-04-17 12:38:32 by 信任开花
[MS] [已完结]硕士毕业论文标题求助 (7/1051) luobenhua 2012-04-16 2012-04-17 11:52:01 by Gwax07
[MS] [已完结]石墨烯过渡金属吸附小分子气体 (0/531) yushengbest 2012-04-17 2012-04-17 10:34:06 by yushengbest
[Vasp&Me ] [已完结]GW计算的能带带隙用bandgap.pl不能提取 (0/1566) ApolloYang 2012-04-17 2012-04-17 09:43:55 by ApolloYang
[Wien2k& ] [已完结]怎样在wien2k上实现K点的并行计算 (1/500) liyanliyan 2012-04-15 2012-04-16 22:25:39 by shiy
[Siesta& ] [已完结]请教,为什么siesta编译中没报错,然而运行的时候跑不起来呢 (9/2448) identation 2011-07-16 2012-04-16 20:01:21 by love5264
[MS] [已完结]我这个DOS图应该怎么看gap?值大约是多少? (3/1175) huahuazan 2012-04-16 2012-04-16 19:08:07 by guodonglin
[MS] [已完结]求助 (1/149) 飘在空中的雨 2012-04-12 2012-04-16 18:28:19 by 飘在空中的雨
[Siesta& ] [已完结]用ATK计算,两电极自旋平行电压1v左右时,计算传输能谱不收敛是什么原因? (0/376) s159632156 2012-04-16 2012-04-16 18:11:21 by s159632156
[Vasp&Me ] [已完结]C-AFM, G-AFM MAGMOM=? (1/964) tuhaidan 2012-04-16 2012-04-16 17:28:35 by zhang668
[其他] [已完结]固体溶解在液体中怎么算热力学数据,算固体呢还是液体 (0/730) 果果徐 2012-04-16 2012-04-16 16:39:27 by 果果徐
[Abinit] [已完结]abinit 几何结构优化无法收敛 (0/745) caqhero 2012-04-16 2012-04-16 16:36:14 by caqhero
[MS] [已完结]这种图是怎么画的用什么软件    ( 1 2 ) (11/1831) tzl728 2012-04-07 2012-04-16 16:35:53 by dxcharlary
[其他] [已完结]amber11在做MD的时候怎么限制小分子的键长键角 (0/407) dearjw1655 2012-04-16 2012-04-16 16:22:36 by dearjw1655
[Vasp&Me ] [已完结]vasp编译出问题,求助各位大神    ( 1 2 ) (15/1310) 小鱼儿他哥 2012-04-13 2012-04-16 15:40:24 by liliangfang
[Vasp&Me ] [已完结]费米能级 (2/370) dfy50 2012-04-16 2012-04-16 13:51:46 by dfy50
[其他] [已完结]BN 磁性的研究 (0/585) 李佳佳佳 2012-04-16 2012-04-16 13:51:02 by 李佳佳佳
[MS] [已完结]看到了没有3个 (1/188) szgirl 2012-04-16 2012-04-16 13:23:28 by seuzzj
[Vasp&Me ] [已完结]还是关于GW 计算 (3/865) njuxyh 2012-04-14 2012-04-16 10:02:19 by liliangfang
[MS] [已完结]MS 费米能级 (1/708) edward100400 2012-04-11 2012-04-16 08:42:06 by edward100400
[MS] [已完结][关贴]请教如何用MS计算晶体的磁性 (1/794) liyi616168 2012-04-15 2012-04-16 08:23:20 by wenzhiqin
[MS] [已完结]求个费米能 (0/303) edward100400 2012-04-15 2012-04-15 22:58:56 by edward100400
[MS] [已完结]贵金属负载ZnO可以用第一性原理计算解释光催化么 (0/347) 菁菁亮 2012-04-15 2012-04-15 21:11:17 by 菁菁亮
[MS] [已完结]Castep高压下性质计算,不同压力设置问题? (0/718) seawolf2100 2012-04-15 2012-04-15 17:00:18 by seawolf2100
[MS] [已完结]求文献 (0/189) 凌爱波 2012-04-15 2012-04-15 09:32:54 by 凌爱波
[MS] [已完结][关贴]请教MS软件CASTEP模块中介电函数实部ε1(ω)出现负值 (1/1125) 绿世奇球 2012-02-22 2012-04-15 00:26:37 by iamikaruk
[MS] [已完结]AC protocols temperature cycle使用问题 (1/330) fu19871111 2012-04-14 2012-04-14 20:55:30 by fu19871111
[MS] [已完结]mesostructure的问题 (0/1104) 水月笼沙 2012-04-14 2012-04-14 20:42:00 by 水月笼沙
[Vasp&Me ] [已完结]电子有效质量 (6/1183) dfy50 2012-04-13 2012-04-14 18:06:04 by dfy50
[MS] [已完结]离子液体的动力学模拟 (6/1889) llwwwh 2011-06-07 2012-04-14 16:16:38 by zxl523
[MS] [已完结]MS提交任务到服务器,没有输出文件 (1/811) seuzzj 2012-04-13 2012-04-14 10:28:53 by seuzzj
[MS] [已完结]哪里设置 Fermi能量收敛精度、电子能量本征值收敛精度等 (2/443) lq6865387 2012-04-12 2012-04-13 21:39:38 by lq6865387
[MS] [已完结]在studio4.2计算时,平面波截断能如何取?布里渊区积分计算采用什么特殊点? (1/746) 菁菁亮 2012-04-12 2012-04-13 20:32:42 by xueht987
[MS] [已完结]MS5.0与4.0结构优化晶格参数差别大 (2/590) 786118827 2012-04-13 2012-04-13 20:32:31 by souledge
[热点前沿 ] [已完结]求助两个概念 关于金属表面的 (2/344) topten-gg 2012-04-12 2012-04-13 20:08:29 by topten-gg
[MS] [已完结]请教一下,这个角度是通过ms计算得到吗? (1/231) MANOWAR 2012-04-13 2012-04-13 18:04:49 by MANOWAR
[MS] [已完结]我在做单键立方氮的几何优化 可是结果失败了 请进来看看 帮我分析下 谢 (0/398) lq6865387 2012-04-13 2012-04-13 16:55:50 by lq6865387
[Vasp&Me ] [已完结]VASP入门指南 原版(英文版) (4/849) 狗狗529 2012-04-12 2012-04-13 16:05:08 by 狗狗529
[MS] [已完结]哪位虫子有没有在win 7操作系统下处理画能带图数据的小程序啊? (3/533) ljyang320 2012-04-13 2012-04-13 15:54:20 by YUN杰2070
[QE(Pwsc ] [已完结]简单的问题,看看偶的设置是否正确 (1/515) minmin_0082003 2012-04-12 2012-04-13 15:30:14 by ridge8888
[热点前沿 ] [已完结]利用德拜温度估算电声子耦合常数 (1/690) Local_Spin 2012-04-12 2012-04-13 15:14:54 by Local_Spin
[Vasp&Me ] [已完结]lib*.so.3这些文件是如何生成的?    ( 1 2 ) (15/1486) tt-0-8 2012-03-27 2012-04-13 15:10:30 by iamikaruk
[Vasp&Me ] [已完结]vasp下的wannier (0/677) chenhui1228 2012-04-13 2012-04-13 14:06:25 by chenhui1228
[其他] [已完结][关贴]两篇Chemistry Letters 的文献求助 (1/295) 初学者vasp 2012-04-13 2012-04-13 12:51:00 by huangll99
[其他] [已完结]石墨稀单侧加氢 形成能的计算 (6/1798) 李佳佳佳 2012-04-10 2012-04-13 12:36:03 by 李佳佳佳
[Vasp&Me ] [已完结]寻找DDT (4/387) zsl_321123 2012-04-13 2012-04-13 11:57:30 by liu108
[MS] [已完结]关于三方晶系的稳定性判据问题 (4/1357) landian666 2012-03-12 2012-04-13 11:17:37 by 冰雨雾
[MS] [已完结]3d viewer 不可用 (0/1365) xuelian172 2012-04-13 2012-04-13 10:45:45 by xuelian172
[MS] [已完结]请高手指教,用Dmol计算时没有outmol是怎么回事啊? (0/908) yushengbest 2012-04-13 2012-04-13 10:38:34 by yushengbest
[其他] [已完结]动力学直径 (0/226) zxling 2012-04-13 2012-04-13 09:48:37 by zxling
[MS] [已完结]弹性常数计算 (3/406) zzjjungle 2012-04-12 2012-04-13 08:09:17 by zzjjungle
[Vasp&Me ] [已完结]VASP 4.6 安装出错?????在线等    ( 1 2 3 ) (20/2400) juliantiger 2012-04-01 2012-04-12 19:29:16 by juliantiger
[MS] [已完结]关于materials studio (6/942) janet2012222 2012-04-11 2012-04-12 16:17:35 by qx0813
[MS] [已完结]关于materials studio的建模问题 (0/418) janet2012222 2012-04-12 2012-04-12 16:13:51 by janet2012222
[MS] [已完结]Optical的计算问题 急求前辈指教 我尽量说详细些 大家进来帮帮忙 感谢! (2/353) xingkai2569 2012-04-11 2012-04-12 13:07:38 by xingkai2569
[QE(Pwsc ] [已完结]关于pwscf的total energy (7/1362) pariah 2012-04-11 2012-04-12 12:32:17 by pariah
[MS] [已完结]本科毕业论文掺杂SNO2的第一性原理计算 (2/603) 失落ai 2012-04-12 2012-04-12 11:11:17 by rxd337
[MS] [已完结]IR 谱 (0/240) x163_yu 2012-04-12 2012-04-12 08:56:10 by x163_yu
[MS] [已完结]计算材料在外高压下的性质时,该如何设置外部压力呢? (4/923) yuanleishi 2011-06-06 2012-04-11 20:21:18 by 空空186
[MS] [已完结]Castep计算无法收敛,请高人指教    ( 1 2 ) (17/2885) wenzhiqin 2012-03-13 2012-04-11 20:03:59 by wenzhiqin
[MS] [已完结]弱弱问一下:stereochemical activity 是什么意思? 谢谢 (5/971) 一片儿陶客 2012-04-04 2012-04-11 19:27:34 by lxg133298
[Vasp&Me ] [已完结]缺陷的不同带电价态是如何理解 (1/1107) xiaoluoj 2012-04-11 2012-04-11 14:11:50 by huangll99
[Vasp&Me ] [已完结]费米面附近出现一个比较大的峰,这是体系不稳定的信号么?    ( 1 2 3 ) (23/2015) jugengfans 2012-04-06 2012-04-11 12:26:05 by jugengfans
[Vasp&Me ] [已完结]Vasp 用PAW算PDOS时和电荷布居时,RWIGS的值会不会有影响? (2/626) jugengfans 2012-04-07 2012-04-11 11:31:01 by jugengfans
[MS] [已完结][关贴]吸附需要勾metal吗? (1/503) scq123 2012-04-10 2012-04-11 10:28:31 by feixue163
[MS] [已完结]discover无法运算 (0/285) 学员z4kOrB 2012-04-11 2012-04-11 09:59:00 by jluzzw
[MS] [已完结]请问硫原子怎样画啊? (2/384) lchylinchy 2012-04-10 2012-04-11 09:17:14 by lchylinchy
[Vasp&Me ] [已完结]半导体SnO2掺杂变成导体可以通过求电子有效质量来判断导电性强弱么 (0/591) dfy50 2012-04-11 2012-04-11 08:47:41 by dfy50
[Wien2k& ] [已完结]能带结构图不显示 (5/1105) liyanliyan 2012-04-10 2012-04-11 08:34:31 by liyanliyan
[MS] [已完结][关贴]castep中磁矩的问题,大家给我出出主意啊~~ (0/377) yrx19861111 2012-04-10 2012-04-10 21:04:23 by yrx19861111
[Vasp&Me ] [已完结]电荷密度图 (7/848) liuqun 2012-03-30 2012-04-10 20:48:39 by liuqun
[MS] [已完结]下载了能带画图工具,用不了怎么回事? (8/1727) liufeila 2012-04-06 2012-04-10 19:33:24 by gkf高
[MS] [已完结]用MS构建的石墨烯模型的问题? (4/1979) 沧海扶摇 2012-04-05 2012-04-10 19:00:28 by 沧海扶摇
[Vasp&Me ] [已完结]问题:vasp计算突然中断,cpu利用率显示为0,这是什么情况,没有断电 (3/1669) gougou531 2012-04-10 2012-04-10 18:38:25 by hedaors
[MS] [已完结]急求。。。 (0/283) 学员MQJm92 2012-04-10 2012-04-10 17:43:51 by 1988gaochao
[MS] [已完结]在MS中如何对周期箱的初始PBX模型进行压缩处理 (0/285) wyywyy8888 2012-04-10 2012-04-10 16:34:10 by wyywyy8888
[其他] [已完结]三方晶系弹性常数和体弹模量之间的关系,最好能提供相关公式,谢谢 (0/557) wuyan070987 2012-04-10 2012-04-10 16:28:52 by wuyan070987
[QE(Pwsc ] [已完结]pwgui安装问题?    ( 1 2 ) (13/2656) jfgood 2012-03-10 2012-04-10 16:20:18 by jfgood
[MS] [已完结]我算出的结果BandStructure和DOS不能用scisser operator模拟实验的gap,怎么办? (0/252) huahuazan 2012-04-10 2012-04-10 15:46:08 by huahuazan
[MS] [已完结]MS中的discover setup计算合金如何设置 (0/672) qx0813 2012-04-10 2012-04-10 15:37:48 by qx0813
[MS] [已完结]如何能计算的更快? (5/995) 蔡锋同学 2012-04-09 2012-04-10 14:27:39 by qx0813
[其他] [已完结]thermocal P版本第36个例子中的问题 (0/961) popo0810 2012-04-10 2012-04-10 14:07:07 by popo0810
[MS] [已完结]用MS软件castep计算体系能量时,系统计算终止,请各位给予帮助,灰常感谢! (4/1345) kattygirl 2012-04-09 2012-04-10 13:25:02 by kattygirl
[MS] [已完结]作图求教 (1/250) shelay 2012-04-10 2012-04-10 13:20:46 by avast2009
[Wien2k& ] [已完结]求助 ELK软件的学习! (4/1366) shihuangzhe 2012-03-30 2012-04-10 13:06:59 by tanloer
[QE(Pwsc ] [已完结]求用espresso4.3.2版本计算neb范例 (0/1818) cailu007 2012-04-10 2012-04-10 11:44:14 by cailu007
[Vasp&Me ] [已完结]请问此势能面如何做? (6/2748) piaoxue001 2012-04-09 2012-04-10 09:00:00 by piaoxue001
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