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[热点] 英文综述是否需要润色及查重 vmyyds999 2026-01-27 刚刚
[MS] [已完结]晶格掺杂后为何能带图与未掺杂相比变密很多??    ( 1 2 ) (10/1964) lzn_t 2013-01-18 2013-04-15 07:51:44 by 颢燹
[QE(Pwsc ] [已完结]求助 关于QE 的plotrho.x program (9/945) yr861109 2013-04-11 2013-04-14 20:55:30 by yr861109
[MS] [已完结]MS 安装license connect问题始终解决不了    ( 1 2 ) (14/1072) andy101199 2012-10-20 2013-04-14 19:34:46 by xxtt26
[Siesta& ] [已完结]Siesta获得哈密顿量矩阵元 (4/616) duxiu727 2013-04-14 2013-04-14 19:22:40 by KalaShayminS
[其他] [已完结]这个到底是期刊还是书的章节?怎么查找啊 (3/790) 子钰菜菜 2013-04-12 2013-04-14 16:17:54 by jq120
[MS] [已完结]castep计算Cr单质单点能,优化出问题 (0/527) 声色中原 2013-04-14 2013-04-14 14:47:37 by 声色中原
[MS] [已完结]MS关于population analysis的计算 (3/2261) 建军 2012-12-26 2013-04-14 14:25:15 by 建军
[其他] [已完结]如何用gaussian生成.log文件之后用gauss sum求差分态密度 (1/1217) 迟小二儿 2013-04-01 2013-04-14 13:03:16 by zhouwohua
[Vasp&Me ] [已完结]第一篇paper,求期刊推荐    ( 1 2 ) (13/1318) xiaoluoj 2013-04-10 2013-04-14 10:28:42 by octopushxh
[资源] [已完结]急求Intel fortran 10.1 EM64安装程序,for win X64! (0/236) allielaw 2013-04-14 2013-04-14 10:01:12 by allielaw
[MS] [已完结]高手请进,算例问题 (0/192) firsttaojun 2013-04-14 2013-04-14 08:30:47 by firsttaojun
[Vasp&Me ] [已完结]孤立NH3分子的DOS计算与文献不符 (6/955) tiger11212 2013-04-10 2013-04-14 00:11:19 by wangkj
[MS] [已完结]ms中怎么建立叠氮物质 (0/473) dyt322 2013-04-13 2013-04-13 22:56:50 by dyt322
[热点前沿 ] [已完结]大神请进Castep计算 (5/547) si_lian 2013-03-30 2013-04-13 18:28:36 by hwceng0816
[Wien2k& ] [已完结]Wien2k分析电子性质问题 (3/546) muzi1984 2013-04-11 2013-04-13 17:24:00 by KalaShayminS
[MS] [已完结]关于castep计算总是在夜深人静的时候推出去的问题 (1/479) zhywind200 2013-04-13 2013-04-13 15:15:30 by gsq920306278
[Vasp&Me ] [已完结]求助:VASP单点能计算没有找到能量最低点 (6/1741) wangjb401 2013-04-12 2013-04-12 22:22:30 by wangjb401
[QE(Pwsc ] [已完结]在哪个文件里可以找到费米能级能量 (0/1539) 骑英奔腾 2013-04-12 2013-04-12 20:52:59 by 骑英奔腾
[MS] [已完结]CASTEP 计算声子想得到热容的数据 如何分析 (0/471) tzl722 2013-04-12 2013-04-12 19:14:55 by tzl722
[MS] [已完结]Fe O 的半金属 的磁性问题 (0/228) colling 2013-04-12 2013-04-12 16:46:22 by colling
[QE(Pwsc ] [已完结]关于计算体系不同性质时的收敛性测试 (7/1490) 骑英奔腾 2013-04-10 2013-04-12 15:59:00 by lingzhi901
[Wien2k& ] [已完结]WIEN2k出现这种能带,一般是哪里出错了? (9/1979) DDO8809 2012-03-30 2013-04-12 13:57:53 by hadone
[Vasp&Me ] [已完结]vasp 安装出错。。。 (0/420) 真情无价108 2013-04-12 2013-04-12 13:31:36 by 真情无价108
[QE(Pwsc ] [已完结]example里面的些许疑问 (5/694) 骑英奔腾 2012-12-18 2013-04-12 13:23:06 by hbwang7717
[MS] [已完结]Fe3O4的cif文件在MS打开的问题    ( 1 2 ) (10/2297) 龙山狮崖 2012-11-04 2013-04-12 12:15:24 by wzbhit
[Vasp&Me ] [已完结]请教一个弹性模量的计算问题    ( 1 2 ) (14/2343) jiehade123 2013-04-03 2013-04-12 10:23:30 by weixp2008
[MS] [已完结]NiO 100面建模问题 (2/419) zzlghust 2013-04-08 2013-04-12 08:45:02 by westdragon
[MS] [已完结]新手用MS,请问2.8G主频,2G内存的电脑能带起来么?    ( 1 2 ) (13/1432) Maverick呼呼 2013-04-08 2013-04-12 00:09:30 by 275560060
[热点前沿 ] [已完结]请教大家,何谓“Long-range Bonding (Band Structure) Properties” (0/327) clszxh02 2013-04-11 2013-04-11 22:27:12 by clszxh02
[MS] [已完结]跪求怎样画电子态密度等值面? (2/2214) kcy87123777 2013-04-11 2013-04-11 21:07:27 by kcy87123777
[Vasp&Me ] [已完结]使用B3LYP来计算TiO2之bulk及surface的INCAR和K点选择 (5/1013) s6414073 2013-04-06 2013-04-11 19:12:13 by s6414073
[资源] [已完结]文献求助 (0/250) fjfuzhou 2013-04-11 2013-04-11 18:35:28 by fjfuzhou
[MS] [已完结]win7系统下ms中castep分析*.castep文件时发生破损,求解 (1/452) flywander 2013-04-10 2013-04-11 18:00:07 by 凭虚御风
[MS] [已完结]算 Rh 需要考虑自旋吗? (4/689) wanwanq 2013-04-10 2013-04-11 16:33:36 by xiewenze
[Vasp&Me ] [已完结]菜鸟求助 VASP INCAR文件怎么写 (0/348) shiyd05 2013-04-11 2013-04-11 16:31:06 by shiyd05
[MS] [已完结]Si单质导出.cell时的问题 (0/306) lzlgcdc 2013-04-11 2013-04-11 16:13:19 by lzlgcdc
[MS] [已完结]gateway timeout 怎么处理啊???求高手! (3/483) wangjing8330 2011-11-29 2013-04-11 16:09:52 by wangjing8330
[Vasp&Me ] [已完结]Self Interaction Correction (vasp实现) (3/551) Copent 2013-04-11 2013-04-11 15:53:10 by emilyoyang
[Vasp&Me ] [已完结]neb过渡态搜索 (2/615) charityqi 2013-04-10 2013-04-11 15:11:12 by charityqi
[热点前沿 ] [已完结]第一性原理Ms Castep 模块计算固溶遇到问题,求解答 (5/706) 杨健yangjian 2013-03-20 2013-04-11 14:44:50 by 杨健yangjian
[Vasp&Me ] [已完结]并行计算时间问题 (1/1041) lzlgcdc 2013-04-11 2013-04-11 13:54:50 by emilyoyang
[MS] [已完结]castep计算半导体光学性质时,本征吸收边不在它应该在的地方。 (4/1458) Tonny_1989 2012-12-21 2013-04-11 12:31:12 by youziyouzi
[MS] [已完结]请教大家一个关于能带图和态密度图的问题 (2/673) jymm 2013-04-11 2013-04-11 11:12:20 by jymm
[Vasp&Me ] [已完结]VASP怎么算NMR (0/1397) wxp1357 2013-04-11 2013-04-11 10:55:19 by wxp1357
[QE(Pwsc ] [已完结]再次求助!关于石墨稀态密度计算出来如何作图问题。 (4/814) 异域神迹 2013-04-10 2013-04-11 10:54:15 by 异域神迹
[MS] [已完结]请问各位大侠,CASTEP如何计算化合价? 化合价与effective charge有什么区别? (1/717) hustzym 2013-04-06 2013-04-11 10:50:09 by hustzym
[其他] [已完结]请问各位大侠,计算模拟的文献一般在哪些期刊上下载 (2/555) 奥特曼Baby 2013-01-18 2013-04-11 10:44:33 by 奥特曼Baby
[资源] [已完结]求助 (3/391) jiaopeng8253 2013-04-11 2013-04-11 10:22:03 by langxueyin
[MS] [已完结]castep计算时出错,求解答    ( 1 2 ) (12/1011) zzzaqxq 2013-04-09 2013-04-11 10:21:59 by lingzhi901
[Vasp&Me ] [已完结]并行计算问题 (4/445) lzlgcdc 2013-04-10 2013-04-11 09:51:33 by lzlgcdc
[Vasp&Me ] [已完结]vasp+phonopy用dfpt计算声子谱的时候需要建多大的超胞呢 (2/2663) 真情无价108 2013-04-10 2013-04-11 09:02:49 by 真情无价108
[MS] [已完结]安装MS后新建3D结构就自动关闭,说缺少SXD content,怎样处理? (1/227) zsiyang 2013-04-10 2013-04-11 08:06:29 by zsiyang
[MS] [已完结]MS中建晶体模型问题求助    ( 1 2 ) (10/1925) farfaraway08 2012-11-08 2013-04-11 08:05:24 by hustzym
[MS] [已完结]求翻译两段文献中的关于计算方法的文字 (4/988) xiaocuicui 2013-04-07 2013-04-10 22:15:08 by kka
[Vasp&Me ] [已完结]计算好像出错了,CONTCAR和WAVECAR空空如也!    ( 1 2 ) (10/3053) porominix 2013-03-29 2013-04-10 21:18:50 by porominix
[Vasp&Me ] [已完结]晶格优化出现问题,急急急 (0/211) wuqiong2008 2013-04-10 2013-04-10 20:39:21 by wuqiong2008
[Vasp&Me ] [已完结]HfO2结构优化后晶体类型改变 (1/385) 颢燹 2013-04-08 2013-04-10 16:54:46 by armaity
[QE(Pwsc ] [已完结]求助,我已经建出graphene.bands.ps文件,我应该怎么看绘出的图啊?    ( 1 2 ) (10/1103) 异域神迹 2013-04-09 2013-04-10 15:06:35 by 异域神迹
[Siesta& ] [已完结]关于siesta的收敛问题 (5/1391) yangxuezhang 2013-04-08 2013-04-10 15:03:30 by KalaShayminS
[Vasp&Me ] [已完结]怎么用VASP计算声子谱 (4/2283) 放开那位大娘 2013-04-08 2013-04-10 11:06:29 by future_wl
[热点前沿 ] [已完结]声子自由程和声子频率的关系? (0/1176) 邪恶少年 2013-04-10 2013-04-10 10:58:48 by 邪恶少年
[Vasp&Me ] [已完结]求助ab initio MD中SMASS设置及并行问题 (3/1525) 舞昂琦VoVo 2013-04-08 2013-04-10 09:48:57 by gavinliu7390
[Vasp&Me ] [已完结]BiFeO3 R3c结构的顺电相是什么? (2/843) future_wl 2013-04-09 2013-04-10 08:44:29 by future_wl
[MS] [已完结][关贴]关于多个castep jo在linux下的运行问题 (5/649) hunter2010 2013-04-09 2013-04-09 23:30:25 by hunter2010
[Siesta& ] [已完结]ATK结构优化时加不加自旋的问题 (5/1035) mxzhai 2013-03-22 2013-04-09 21:47:01 by dagewane63
[MS] [已完结]安装MS后电脑开机提示出现lmgrd错误如何解决? (0/305) 379631818 2013-04-09 2013-04-09 18:46:15 by 379631818
[MS] [已完结]求助:用castep 做掺杂计算时,Geometry Optimization的作用?    ( 1 2 ) (13/2671) yqkwww 2012-05-15 2013-04-09 18:00:22 by 磊俊陈
[其他] [已完结]SrRuO3/SrTiO3的交界面是什么? (2/1039) blue.wh 2011-05-04 2013-04-09 16:51:10 by blue.wh
[Vasp&Me ] [已完结]vasp.5.2编译出错,跪求解决办法!    ( 1 2 ) (10/2157) shawwww 2013-04-03 2013-04-09 16:37:46 by shawwww
[热点前沿 ] [已完结]Castep搜索过渡态不收敛,已查遍所有帖子无类似,请高手赐教 (6/913) fanhongxiang 2013-04-05 2013-04-09 16:03:27 by huxiao.gl
[Vasp&Me ] [已完结]公式求助???? (0/302) gyj小果子 2013-04-09 2013-04-09 15:54:43 by gyj小果子
[MS] [已完结]掺杂晶体,结构优化角度发生变化 (5/884) hedonistful 2013-04-09 2013-04-09 14:37:40 by hedonistful
[Vasp&Me ] [已完结]vasp能带计算结果如何用gnuplot画图 (2/1250) yangfeng513 2013-02-03 2013-04-09 12:59:01 by shading10086
[Vasp&Me ] [已完结]求助这样的Charge density difference图是用什么软件画的 (3/1690) sjzxbe 2013-04-09 2013-04-09 12:56:35 by DFPT
[其他] [已完结]请问钼金属在高温时容易被氧化吗 (5/3928) chris玲0 2013-04-08 2013-04-09 12:54:17 by mumu000
[Siesta& ] [已完结]ATK的能带范围 (1/437) ghostsyd 2012-08-08 2013-04-09 10:49:41 by dagewane63
[其他] [已完结]理论计算 石墨烯的拉曼光谱 (2/1117) qingeraaa 2013-01-14 2013-04-09 07:53:46 by realpeach
[Vasp&Me ] [已完结]怎样分析下面这个图呢?求详解, (1/264) zhlhhc 2013-04-08 2013-04-08 22:51:45 by fengangelo
[热点前沿 ] [已完结]crystalmaker晶体软件 (1/882) hwceng0816 2013-04-08 2013-04-08 22:51:32 by tangsw911
[QE(Pwsc ] [已完结]求助Zn, S 的赝势 (5/1331) gracerongr 2013-04-06 2013-04-08 21:52:15 by gracerongr
[MS] [已完结]MS Energy 计算错误 求助 (4/979) wulingnan 2013-04-05 2013-04-08 21:39:19 by franch
[MS] [已完结]求助,哪位大侠能有Be4AlMn的原子位置或cif文件,谢谢 (1/304) kanghuijun 2013-04-08 2013-04-08 21:07:55 by nsqhmily
[MS] [已完结]castep原点设置 (3/482) xiaoyukaka 2013-04-07 2013-04-08 19:03:30 by 小韧1
[Vasp&Me ] [已完结]紧急求助:结构优化时是否考虑磁性的影响? (7/2879) shihuangzhe 2012-04-11 2013-04-08 17:49:39 by yayanoba
[MS] [已完结]磁矩 (0/590) mengchouchou 2013-04-08 2013-04-08 16:31:16 by mengchouchou
[Vasp&Me ] [已完结]本组打算购买MedeA,请问有买过的吗,价格几何?    ( 1 2 ) (16/1307) zhmj 2013-04-08 2013-04-08 14:41:32 by zhmj
[Vasp&Me ] [已完结]HfO2优化问题 (2/530) wanjiayu0116 2013-04-02 2013-04-08 13:30:33 by 颢燹
[热点前沿 ] [已完结]请问今年第一性原理有相关会议吗? (3/606) hwceng0816 2013-04-06 2013-04-08 11:29:25 by wuli8
[Abinit] [已完结]声子谱计算求助 (3/1168) fengshiquan 2013-04-06 2013-04-08 10:13:19 by 若博特
[Abinit] [已完结]求助高手,关于ABINIT计算声子谱的问题 (0/605) 若博特 2013-04-08 2013-04-08 10:06:04 by 若博特
[MS] [已完结]重金求助,如何计算电子的激活能(活化能)吗?第一性原理能算吗? (0/1782) duanludy 2013-04-08 2013-04-08 09:12:10 by duanludy
[MS] [已完结]新手求助 CASTEP为什么与部分点已经低于收敛标准了却不结束呢 (5/967) shiyd05 2013-04-07 2013-04-08 08:49:45 by shiyd05
[QE(Pwsc ] [已完结]pwscf为什么要用ev.x进行物态拟合? (6/1340) Sectumsempra 2011-12-04 2013-04-08 08:40:38 by DFPT
[Vasp&Me ] [已完结]VASP workshop at the Institut des Matériaux Jean Rouxel , France (2012) (4/3567) wuli8 2013-04-07 2013-04-07 21:35:48 by love5264
[MS] [已完结]MS中AC模块中的下列词是什么意思? (5/1455) xiaoyue1610 2011-05-26 2013-04-07 21:03:03 by xiaoyue1610
[Vasp&Me ] [已完结]γ铁 (0/166) 真情无价108 2013-04-07 2013-04-07 20:04:13 by 真情无价108
[热点前沿 ] [已完结]求助:沿x方向单轴拉六方晶系算力学性质,要不要建正交的超胞? (4/973) gemucai 2013-04-05 2013-04-07 20:02:35 by 人生果
[MS] [已完结]在MS5.0中怎么样得到键级和吸附能 (0/868) Eason印雪 2013-04-07 2013-04-07 19:38:55 by Eason印雪
[MS] [已完结]急,,送金币!!! (5/540) 767550995 2013-04-04 2013-04-07 18:08:59 by 1234liang
[MS] [已完结]MS 运行中licence报错 (3/556) youziyouzi 2013-04-07 2013-04-07 18:08:37 by 1234liang
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