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[热点] 售SCI一区T0P文章,我:8.O55.1.O.54,科目全,可十急 ncTVBM6AOJHF 2026-11-05 刚刚
[Vasp&Me ] [已完结]VASP中偶极矩修正是如何做的? (0/4024) chinamanner1 2015-01-27 2015-01-27 14:50:23 by chinamanner1
[热点前沿 ] [已完结]对于价带顶及导带底分属不同自旋的半导体,可以直接跃迁吗? (4/1456) 奔跑的爷们 2015-01-26 2015-01-27 14:38:00 by 奔跑的爷们
[Vasp&Me ] [已完结]求当施加单轴应变(如x方向)较多时的shell 脚本 (4/1679) 骆驼忍着 2015-01-22 2015-01-26 23:23:15 by liqizuiyang
[MS] [已完结]求各位大神帮忙修背底 (0/476) zhenglijun-8 2015-01-26 2015-01-26 15:51:22 by zhenglijun-8
[Vasp&Me ] [已完结]如何从状态密度(DOS)分析来判断吸附稳定性?    ( 1 2 ) (11/3302) gfunction 2012-05-10 2015-01-26 15:08:43 by vallen
[Abinit] [已完结]安装openmpi时出现错误,如何解决? (1/4427) TS_boy 2015-01-26 2015-01-26 15:02:06 by 未岸亡灵
[MS] [已完结]win7 32位,求助适合的material studio,邮箱junfei_w@126.com (2/4008) junfei_w 2015-01-24 2015-01-26 11:20:26 by junfei_w
[热点前沿 ] [已完结]不同温度下 六方晶系的结构参数的变化 (0/499) 无缘无怨 2015-01-26 2015-01-26 09:45:31 by 无缘无怨
[MS] [已完结]MS画图求助 (0/448) emmachen 2015-01-26 2015-01-26 09:32:22 by emmachen
[其他] [已完结]cygwin使用中的问题···· (1/440) 木木菜 2013-06-10 2015-01-25 21:23:32 by 碳一化工
[MS] [已完结]CASTEP计算EELS相关问题求助 (0/854) 孙东加油 2015-01-25 2015-01-25 09:55:58 by 孙东加油
[Vasp&Me ] [已完结]cpu效率低下 (7/1445) swuhaizhilan 2015-01-24 2015-01-25 08:57:48 by 未岸亡灵
[Vasp&Me ] [已完结]带电体系能量 ----计算 (2/2522) Janus2024 2015-01-24 2015-01-25 01:58:20 by stractor
[MS] [已完结][关贴]XRD精修 (评阅-20) (4/1381) 276897678976 2015-01-17 2015-01-24 20:20:03 by ljw4010
[Wien2k& ] [已完结]联网/IP (2/642) 513014736 2015-01-23 2015-01-24 12:54:36 by 513014736
[MS] [已完结]Material-studio 6.0安装和卸载问题 (1/3095) JJ20 2015-01-24 2015-01-24 11:40:26 by ljw4010
[Vasp&Me ] [已完结]晶格弛豫与结构弛豫    ( 1 2 ) (18/6477) sungjen 2013-10-06 2015-01-24 07:26:52 by 计算化学新人
[MS] [已完结]请教,在同一台机子上用虚拟机装客服端,真实机子装服务器好,还是反过来好呢? (3/775) topkzq 2015-01-21 2015-01-23 21:00:49 by topkzq
[MS] [已完结]询问castep 出现这样的失败窗口的原因 (6/1025) 七夕墨 2015-01-21 2015-01-23 19:33:33 by 飞行鸟
[MS] [已完结]建模急求关于Mn4B完整结构的文献 (0/231) ysun2014 2015-01-23 2015-01-23 19:10:23 by ysun2014
[Vasp&Me ] [已完结]求助γ-Al2O3 (1/351) 枫寒 2015-01-23 2015-01-23 17:57:27 by 未岸亡灵
[MS] [已完结]介孔碳的分子模型怎么构建 (0/447) abczjp 2015-01-23 2015-01-23 15:07:52 by abczjp
[Vasp&Me ] [已完结]加压后光的吸收谱变化 (5/1223) zyqh 2015-01-22 2015-01-23 15:07:05 by 飞行鸟
[MS] [已完结]Materials-studio 6.0 (2/603) JJ20 2015-01-23 2015-01-23 10:58:20 by ljw4010
[MS] [已完结]用castep计算体心立方Fe的弹性常数自旋怎么设置? (0/1082) guorui50000 2015-01-23 2015-01-23 09:43:10 by guorui50000
[Vasp&Me ] [已完结]计算贵金属的NEB出现问题 (0/572) maoshanjun 2015-01-22 2015-01-22 21:59:35 by maoshanjun
[MS] [已完结]关于Castep 算晶面上吸附的吸附模型的建立,表面饱和悬空键原子位置的提问 (1/1700) 王梦ariel 2014-09-13 2015-01-22 17:50:17 by 王wzz
[Vasp&Me ] [已完结]如何用origin画出CHGCAR的等值线的图?急求! (3/1708) 张文彪 2015-01-21 2015-01-22 14:23:14 by 鹰羽龙
[Vasp&Me ] [已完结]弛豫不收敛,怎么破? (4/1454) 小地雷2014 2014-12-18 2015-01-22 13:14:48 by 蓝莓微积分
[Vasp&Me ] [已完结]急求教:p4vasp 打开xml文件时 提示 error reading property NAME    ( 1 2 ) (14/6369) stewart1922 2012-04-18 2015-01-22 12:47:48 by highpeter
[Vasp&Me ] [已完结]自己dos计算得到的带隙与文献相差很大 (6/2769) jing0431 2015-01-21 2015-01-22 12:37:36 by wuli8
[MS] [已完结]Dmol 中的Calculate partial hessian 是什么意思? (4/1665) cshcgy 2012-04-17 2015-01-22 05:49:44 by 卡开发发
[MS] [已完结]castep问题求助    ( 1 2 3 ) (29/4914) xiaobo5412 2014-05-11 2015-01-22 05:43:38 by ysun2014
[MS] [已完结]2*Integrated Spin Density (0/1252) alix 2015-01-21 2015-01-21 20:33:43 by alix
[其他] [已完结]自旋轨道耦合 (0/716) 605167923 2015-01-21 2015-01-21 16:46:27 by 605167923
[MS] [已完结]CASTEP 里 Hirshfeld Analysis的具体解释 (2/2758) suxin_phy 2014-12-10 2015-01-21 15:24:39 by suxin_phy
[MS] [已完结]spin 以及 alpha and beta (6/1874) wangle_17 2015-01-20 2015-01-21 13:04:41 by wangle_17
[Siesta& ] [已完结]关于结构优化 (6/1456) desperadp 2015-01-18 2015-01-21 10:55:43 by 孙远慧
[Vasp&Me ] [已完结][关贴]HSE计算的一些问题,希望大家帮我解决谢谢    ( 1 2 ) (13/3787) wangyan6930 2015-01-06 2015-01-21 08:02:15 by wangyan6930
[MS] [已完结]MS7.0-castep板块并行问题,只能用一个核算,两个核以上就会出错!这是为什么啊? (4/1097) 吕小强强 2014-10-05 2015-01-21 06:56:51 by 一刀胡
[Vasp&Me ] [已完结]非极性表面模型中的赝势氢是否必须? (5/1400) gfunction 2015-01-18 2015-01-20 11:04:42 by 未岸亡灵
[MS] [已完结]castep计算bandstr后模型发生移动 (8/1676) 446181697 2015-01-17 2015-01-19 23:25:55 by njuedu007
[MS] [已完结]请问ms中用castep计算得到的absorption是什么意义? (1/1084) 小布丢 2015-01-18 2015-01-19 21:20:02 by mhslee
[Vasp&Me ] [已完结]CrO2 (8/1391) Misschen 2015-01-13 2015-01-19 20:03:55 by Misschen
[MS] [已完结]被发光学报退稿了 (9/2877) shixiuyang 2014-09-13 2015-01-19 17:39:50 by tsglss
[MS] [已完结]请高手帮我看看怎样从这组能带数据得到它的有效质量 (7/1107) zyqh 2015-01-04 2015-01-19 15:50:30 by zyqh
[MS] [已完结]建造纳米晶胞FeCuNbSiB结构 (0/257) lizaza 2015-01-19 2015-01-19 15:11:27 by lizaza
[MS] [已完结]Ms建模问题 (2/547) fq090220 2015-01-19 2015-01-19 15:10:14 by fq090220
[MS] [已完结]怎么回看material studio构建表面模型时加的vaccum厚度 (1/716) 晨燕 2015-01-19 2015-01-19 13:57:15 by zsjan
[Vasp&Me ] [已完结]关于形成能计算 (3/2157) fanzi91 2015-01-19 2015-01-19 10:49:05 by 孙远慧
[Vasp&Me ] [已完结][关贴]计算Partical charge density时出现WARNING (0/1778) tonglijia 2015-01-19 2015-01-19 10:10:12 by tonglijia
[Vasp&Me ] [已完结]请大家帮我看一下我能带计算结果是否合理    ( 1 2 ) (10/1950) zhangliping_77 2015-01-16 2015-01-19 08:12:38 by tsglss
[Vasp&Me ] [已完结]如何从能带图来对比导电性的强弱    ( 1 2 ) (12/4207) caesarly 2011-10-26 2015-01-19 06:56:41 by 对马拉二胡
[MS] [已完结]ms中如何建立弯曲的石墨烯模型 (1/2153) yolai1015 2015-01-18 2015-01-18 18:20:43 by zhadace
[其他] [已完结]请问Cauchy pressure如何计算 (4/2099) hdh912 2012-02-08 2015-01-18 17:04:02 by yifanxiaoyu
[Vasp&Me ] [已完结]vasp计算能带的KPOINTS的高对称点怎么去?    ( 1 2 3 ) (21/5451) feiyue_ 2014-12-22 2015-01-18 16:40:20 by zongzhen1234
[QE(Pwsc ] [已完结]PWscf 4.3自洽计算默认不输出力吗? (5/1100) zal7891 2015-01-14 2015-01-17 20:33:34 by njuedu007
[资源] [已完结]求帮忙查个文献 (2/616) nbwhjf000 2015-01-16 2015-01-17 19:06:49 by 未岸亡灵
[MS] [已完结]MS中怎么创建一个离子,如氯离子??新手求助。 (1/1182) 呀呀杨会苗 2015-01-15 2015-01-17 16:50:33 by 呀呀杨会苗
[热点前沿 ] [已完结]复现不出文献的结果……求助!    ( 1 2 ) (10/3359) 甲斐之虎 2015-01-13 2015-01-17 11:26:29 by 甲斐之虎
[MS] [已完结]优化成功,但计算总是失败,求高人指点 (3/1346) wangblackfir 2015-01-15 2015-01-17 09:52:52 by guorui50000
[MS] [已完结]请问能用MS软件进行热膨胀系数、自由焓、熵等热力学参数的计算吗?    ( 1 2 3 ) (20/6206) 学员MQJm92 2012-03-29 2015-01-17 07:07:18 by Tonisam
[MS] [已完结]六方氮化硼的castep计算 (2/962) tb_4417255 2015-01-15 2015-01-16 18:53:51 by tb_4417255
[MS] [已完结]如何把Bi2Se3, Bi2Te3 空间群为166 R-3m的结构中的扭曲八面体变成正八面体    ( 1 2 ) (19/3999) dongfangyu7685 2011-06-09 2015-01-16 13:22:25 by 叶向阳
[MS] [已完结]MaterialsStudio7.1安装求助 (9/3252) hexin1982 2014-10-31 2015-01-16 12:49:53 by clizer
[Siesta& ] [已完结]ADF试用时间到期的问题 (0/523) 草鱼xixi 2015-01-16 2015-01-16 11:44:48 by 草鱼xixi
[MS] [已完结]castep的dynamic 计算遇到问题    ( 1 2 ) (10/2316) 小熙小7 2015-01-15 2015-01-16 10:50:17 by 小熙小7
[Siesta& ] [已完结]siesta可以计算VBM and CBM orbitals吗? (1/686) xiongxiong5712 2015-01-14 2015-01-16 10:38:53 by y1ding
[Vasp&Me ] [已完结]请问有人用VASP计算过金属材料的电阻率吗? (2/1966) 对马拉二胡 2015-01-15 2015-01-15 17:37:27 by magicmonk
[MS] [已完结]初学者真诚请教 (0/527) 青青ji 2015-01-15 2015-01-15 17:03:24 by 青青ji
[Vasp&Me ] [已完结]共吸附吸附能计算公式写法 (7/3652) lyxc43 2013-05-22 2015-01-15 16:06:32 by 半人马ALPHA
[MS] [已完结]在Windows XP系统上安装MS 7.0出错 (7/1203) rgzeng 2015-01-13 2015-01-15 15:44:07 by pigrass
[Vasp&Me ] [已完结]如何判断该进行FM计算还是AFM计算? (7/2222) wanglikun08 2015-01-14 2015-01-15 15:01:22 by wanglikun08
[MS] [已完结]麻烦帮我看看是哪里的问题。 (3/616) w3863719 2015-01-13 2015-01-15 12:31:45 by 小熙小7
[Vasp&Me ] [已完结]画DOS 图求助    ( 1 2 ) (11/1624) zyqh 2015-01-13 2015-01-15 11:02:39 by zyqh
[Vasp&Me ] [已完结]VASP优化MnO结构如何转化晶胞参数a,b,c? (1/2228) 一一陌颜 2015-01-12 2015-01-15 10:57:21 by 未岸亡灵
[MS] [已完结]forcite使用服务器问题 (0/705) 984933989 2015-01-15 2015-01-15 09:02:20 by 984933989
[MS] [已完结]有人知道为什么castep算的DOS没有导带部分吗? (1/645) w3863719 2015-01-14 2015-01-14 22:08:02 by nright
[MS] [已完结]CASTEP计算的时候,程序只跑不出结果。 (2/1103) 肖瑞春 2015-01-12 2015-01-14 17:11:53 by tongcc096
[Vasp&Me ] [已完结]请问phonopy得到的结果里面怎么区分声子的声学波和光学波? (4/1699) 小虫虫LG 2015-01-09 2015-01-14 15:43:04 by 倔强的小蚊虫
[MS] [已完结]domls 搜素过渡态出现input convetion error 是怎么回事? (0/290) liulijuan425 2015-01-14 2015-01-14 15:29:34 by liulijuan425
[资源] [已完结]求发给一个xtalopt安装包 windows下的 (0/619) topten-gg 2015-01-14 2015-01-14 13:55:22 by topten-gg
[热点前沿 ] [已完结]CASTEP计算声子谱问题 (7/3033) 迎风破浪 2013-12-26 2015-01-14 11:57:18 by 657151057
[Vasp&Me ] [已完结]用vasp计算band时,有一个平的能带,但是算的dos,在此处没有峰,为什么? (5/1826) qinxuming 2015-01-12 2015-01-14 11:09:34 by qinxuming
[热点前沿 ] [已完结]求石墨烯纳米催化领域经典论文 (0/283) 奔跑的爷们 2015-01-14 2015-01-14 10:47:53 by 奔跑的爷们
[MS] [已完结]有机大分子表面吸附 (0/250) linchongzhi 2015-01-14 2015-01-14 10:24:16 by linchongzhi
[Vasp&Me ] [已完结]vasp力场参数的设置,vasp5.2中没有Pb的力场参数C6与R0,哪位大神能够告知下。 (5/1775) 995841428 2013-11-19 2015-01-14 06:23:58 by 天罡寒星
[热点前沿 ] [已完结]第一性原理计算在纳米材料方面的作用及前景 (1/910) maoguobin1 2015-01-13 2015-01-13 23:07:05 by tsglss
[Vasp&Me ] [已完结]结构优化出现的问题 (4/1627) 恒静无言 2015-01-12 2015-01-13 20:29:45 by 恒静无言
[资源] [已完结]面心立方Fe的体模量和剪切模量的实验值或者计算值,最好有文献根据!谢谢! (0/733) guorui50000 2015-01-13 2015-01-13 16:04:49 by guorui50000
[MS] [已完结]第一性原理如何研究体系的稳定性 (4/1280) 蔷薇薇蔷 2015-01-11 2015-01-13 15:40:10 by 甲斐之虎
[Vasp&Me ] [已完结]求用于NEB插入images的interpolatePOS脚本 (2/945) xxxxxxxfc 2015-01-13 2015-01-13 15:27:35 by xxxxxxxfc
[Vasp&Me ] [已完结]能量计算 (0/222) caodan1021 2015-01-13 2015-01-13 15:10:43 by caodan1021
[Vasp&Me ] [已完结]吸附质O原子、OH、H2O的结构怎么搭建,怎么产生poscar,然后算其能量? (6/2679) cumt蝈蝈 2013-09-24 2015-01-13 12:07:33 by cumt蝈蝈
[MS] [已完结]求助MS中如何导入Se这种东西 (1/435) 513014736 2015-01-11 2015-01-13 11:29:27 by dx0620
[MS] [已完结][关贴]求MaterialsStudio 7.0的Linux版本的pbs提交文件脚本‏ (1/807) xiao9xie 2015-01-09 2015-01-13 10:11:48 by xiao9xie
[Vasp&Me ] [已完结]新手vasp编译不过,请指教~    ( 1 2 ) (17/3753) stefsui 2012-07-02 2015-01-13 07:53:08 by 商雄军
[MS] [已完结]scripting 中的debug按钮为灰色,无法开始运行perl脚本 (6/1345) biancheng159 2014-09-21 2015-01-13 06:32:48 by upc穆宁
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