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[热点] 救命帖 xiaoyu2022 2026-01-25 刚刚
[热点前沿 ] 【求助】向各位高手请教:如果我想研究分子导线的导电性,应该看什么书,学习什么软件 (6/1497) yjcmwgk 2011-01-10 2013-03-13 15:52:52 by damihu2011
[热点前沿 ] [已完结]第一性原理文章中当前较为热点的三维图 (2/518) hwceng0816 2013-03-12 2013-03-12 17:33:43 by hwceng0816
[热点前沿 ] [已完结]能帮忙下一篇文献吗???谢谢了。 (0/224) huangpu2009 2013-03-11 2013-03-11 20:12:25 by huangpu2009
[热点前沿 ] [已完结]跪求95、98、03、06版本的crystal软件,先散金100!谢谢! (3/527) weiyongkai 2013-03-08 2013-03-10 17:42:25 by weiyongkai
[热点前沿 ] [已完结]从能带结构图上看,零能隙半导体和半金属的区别 (1/811) cash_ms 2013-03-10 2013-03-10 16:20:39 by fzuer
[热点前沿 ] [已完结]请大侠指导用高斯计算sac-ci时,总是出现内存不足的提示,该怎么解决? (2/550) lwy744019 2013-02-26 2013-03-08 21:33:27 by lwy744019
[热点前沿 ] vasp 静态计算结束,没有产生CHGCAR? (2/727) zcxcml 2013-03-06 2013-03-07 11:02:54 by chanhei
[热点前沿 ] XAFS (6/1279) fjfuzhou 2012-05-24 2013-03-06 16:50:10 by Will-Lee
[热点前沿 ] [已完结]什么是磁振子的软化和硬化现象呢? (0/475) 真情无价108 2013-03-05 2013-03-05 21:57:55 by 真情无价108
[热点前沿 ] GaN 极性表面形成能的计算 (1/908) liuzhun168 2013-03-04 2013-03-05 15:57:16 by wekow
[热点前沿 ] [已完结]孙家钟院士走好! (8/1424) limaojlu 2013-02-28 2013-03-05 01:58:35 by lonewolf659
[热点前沿 ] WanT 输运计算 (0/367) newton3915 2013-03-04 2013-03-04 09:33:40 by newton3915
[热点前沿 ] 比较半径大小是用共价半径还是用离子半径 (10/1579) lijuanshu 2013-02-26 2013-03-02 16:54:25 by lijuanshu
[热点前沿 ] [已完结]如何找晶界处的间隙位置 (3/621) lijuanshu 2013-02-28 2013-03-02 09:22:16 by lijuanshu
[热点前沿 ] 单层纳米结构如石墨烯,C4结构等,无论实验上还是理论上发现,都有哪些?    ( 1 2 ) (68/3823) onion2440 2012-10-31 2013-02-27 05:19:14 by heechao
[热点前沿 ] [已完结]用ABINIT6.4.2版本计算声子谱,第五步,band2eps输出的结果和以前的版本不同 (0/513) yy08 2013-02-24 2013-02-24 03:02:49 by yy08
[热点前沿 ] [已完结]关于等体热容Cv值得计算 (5/1449) yy08 2013-02-21 2013-02-23 10:48:04 by 花无刺
[热点前沿 ] [已完结]急求随机相近似RPA原理 (6/2187) panpanxiong 2013-02-16 2013-02-20 18:56:31 by panpanxiong
[热点前沿 ] PRL一篇:Is Hydrogen Storage Possible in Metal-Doped Graphite 2D Systems? (9/1454) fzx2008 2012-04-24 2013-02-17 09:41:43 by xyzzz986
[热点前沿 ] [已完结]计算纳米材料的压电性能用什么软件最好? (2/485) wangwy04 2013-01-02 2013-02-15 13:12:54 by wangwy04
[热点前沿 ] 氧化铈和二氧化硅的高温加热反应 (3/1732) 钓鱼大神 2012-11-29 2013-01-29 21:58:00 by lupglass
[热点前沿 ] [已完结]kilotesla是个能量单位? (2/265) tider 2013-01-26 2013-01-28 00:33:51 by tider
[热点前沿 ] [已完结]能带图中的符号意义 (2/2107) ApolloYang 2012-12-13 2013-01-27 23:11:21 by ApolloYang
[热点前沿 ] [已完结]求 懂的模拟荧光能级的高手 (0/214) xinbingjing 2013-01-27 2013-01-27 14:48:59 by xinbingjing
[热点前沿 ] DFT方法计算体系的铁磁性和反铁磁性的优势 (1/829) lxrui 2013-01-16 2013-01-19 13:59:41 by Lathander
[热点前沿 ] [已完结]关于选取晶报大小 (2/509) xiaoboy185 2013-01-16 2013-01-17 11:00:55 by zxynepu
[热点前沿 ] [已完结]MS discover 能做溶液结晶吗? (0/339) xiongye1000 2013-01-16 2013-01-16 23:29:25 by xiongye1000
[热点前沿 ] [已完结]得失电子之后的自旋多重度的变化 (2/425) gwlsw890118 2013-01-16 2013-01-16 21:30:11 by lmzhao
[热点前沿 ] [已完结]编译问题,急求~~~ (4/1176) love5264 2013-01-08 2013-01-15 22:42:43 by lda8810809
[热点前沿 ] 关于非线性光学相关计算问题的讨论 (0/481) chenxin1992 2013-01-15 2013-01-15 22:02:24 by chenxin1992
[热点前沿 ] [已完结]关于K点测试 (1/821) xiaoboy185 2013-01-11 2013-01-13 21:31:03 by souledge
[热点前沿 ] 分析采用第一原理计算立方金属的体模量的误差,讨论如何提高计算精度 (1/469) 钢金术师 2013-01-13 2013-01-13 16:40:05 by 钢金术师
[热点前沿 ] [已完结]高斯计算中间物相的能量 (0/280) 秦巴农夫 2013-01-11 2013-01-11 16:09:12 by 秦巴农夫
[热点前沿 ] [已完结]求助关于二维类石墨烯结构的vasp结构优化,能带计算 (0/1886) terry52112 2013-01-10 2013-01-10 14:32:06 by terry52112
[热点前沿 ] [已完结]这种态密度图说明什么? (1/1804) zhongyunxia 2013-01-10 2013-01-10 13:52:28 by mika
[热点前沿 ] [已完结]一个审稿意见,求指点 (评阅-6) (3/767) yy08 2013-01-08 2013-01-08 17:32:32 by yy08
[热点前沿 ] [已完结]Graphene Phonon Mean Free Path Calculation 石墨烯声子自由程计算 (1/603) sdzjc1988 2013-01-08 2013-01-08 09:03:52 by xwangan
[热点前沿 ] [已完结]怎样用Doml软件计算拉曼光普 (0/402) xiangge 2013-01-05 2013-01-05 21:24:37 by xiangge
[热点前沿 ] [已完结]求推荐文章 关于金纳米团簇(Au>100)与石墨的催化作用 (0/449) xueyan9088 2013-01-04 2013-01-04 22:23:29 by xueyan9088
[热点前沿 ] 弱问,原胞弹性常数矩阵和惯用晶胞弹性常数矩阵是否一致 (2/636) njn0516 2012-12-13 2013-01-03 12:16:50 by njn0516
[热点前沿 ] 第一性原理和分子动力学的关系? (8/4047) lijuanshu 2012-11-18 2012-12-31 09:25:56 by xwangan
[热点前沿 ] [已完结][关贴]求H2在高压下的C2/c结构具体的晶格参数信息(附相关文献),重谢! (4/628) weiyongkai 2012-12-26 2012-12-30 21:05:04 by gavinliu7390
[热点前沿 ] 光催化的理论研究发展到什么程度了?最近还火吗?请教~~~~~~ (7/1023) jymm 2012-12-08 2012-12-30 12:42:49 by jymm
[热点前沿 ] [已完结]吸附能为71kJ/mol,但分析A的重叠布居数可断定是物理吸附,但吸附能这么大,正常吗?    ( 1 2 ) (10/1448) fanhongxiang 2012-12-13 2012-12-27 11:07:07 by fanhongxiang
[热点前沿 ] [已完结]求助关于第一性原理或者量化计算 (0/546) 280198000 2012-06-13 2012-12-24 14:55:13 by 280198000
[热点前沿 ] 磁性掺杂拓扑绝缘体实现量子反常霍尔效应 (5/1668) 雪狼1210 2011-04-26 2012-12-23 00:27:44 by fanarsenal
[热点前沿 ] [已完结]有高手了解有缺陷石墨烯谷极化相关知识的么 (0/490) dishixian 2012-12-20 2012-12-20 21:43:16 by dishixian
[热点前沿 ] [已完结]关于可以考虑van der waals作用的DFT软件 (6/2001) yinhanqing 2012-10-06 2012-12-20 06:02:12 by rainxin2008
[热点前沿 ] [已完结]如何建立金属和无定形结构的interface模型 (0/296) xiaoboy185 2012-12-19 2012-12-19 18:29:37 by xiaoboy185
[热点前沿 ] [已完结]求助高分子量子化学计算方法 (3/892) 行不彳亍 2012-11-17 2012-12-17 17:34:32 by wei_99
[热点前沿 ] [已完结]虚心请教高手解决一简单吸附模拟问题 (0/294) long2110 2012-12-13 2012-12-13 15:52:57 by long2110
[热点前沿 ] [已完结]求助 (0/175) jingfenzhao 2012-12-13 2012-12-13 11:27:37 by jingfenzhao
[热点前沿 ] [已完结]吉布斯自由能 (4/1907) cash_ms 2012-01-16 2012-12-13 10:52:58 by 0begining
[热点前沿 ] [已完结]关于findit中查到的cif模型与文献中的cif模型不同的求助 (4/1470) farfaraway08 2012-12-12 2012-12-12 19:18:05 by farfaraway08
[热点前沿 ] [已完结]求助体系含两种类型的的空位的话,缺陷形成能如何计算啊 (2/408) physiclin 2012-12-12 2012-12-12 14:27:52 by physiclin
[热点前沿 ] [已完结]+u计算的DOS图让我奔溃了,求分析 (7/986) si_lian 2012-09-07 2012-12-12 12:15:31 by k_now
[热点前沿 ] [已完结]声子能带与声子谱求助 (1/1301) ynszjt 2012-12-08 2012-12-08 13:59:50 by souledge
[热点前沿 ] [已完结]求求你们了,大三学生做科研时有点迷茫,想请教各位 (4/964) nsq12382 2012-10-07 2012-12-03 09:53:30 by Mr_WuSH
[热点前沿 ] [已完结]Ru4+的磁矩怎么算的 (1/1232) lvkai39 2012-12-01 2012-12-02 08:36:20 by lvkai39
[热点前沿 ] [已完结]关于无定形金属氧化物表面的模型 (0/391) xiaoboy185 2012-11-30 2012-11-30 17:24:11 by xiaoboy185
[热点前沿 ] [已完结]旋涂用的烤胶台,可以用紫外灯代替吗? (2/614) 苦咖啡酸苹果 2012-11-27 2012-11-29 07:58:53 by 苦咖啡酸苹果
[热点前沿 ] [已完结]拉伸应力应变曲线横轴变大 (0/536) janet2012222 2012-11-26 2012-11-26 19:56:51 by janet2012222
[热点前沿 ] 【求助】E-V曲线晶体状态方程拟合问题 (8/4661) qx08131989 2010-12-31 2012-11-26 13:04:10 by zhang668
[热点前沿 ] [已完结]IGLO方法那些程序可以计算? (3/754) 10010602004 2012-07-11 2012-11-25 10:25:45 by leimiao_hit
[热点前沿 ] [已完结]知道构型,如何画powder diffraction (1/273) xiaoboy185 2012-11-14 2012-11-23 15:33:29 by qiuyuan-w
[热点前沿 ] [已完结]几种层错的概念和计算公式 (0/1880) shelay 2012-11-23 2012-11-23 09:49:47 by shelay
[热点前沿 ] 有人做GPU计算吗? (20/2826) iamikaruk 2012-11-01 2012-11-21 18:32:15 by iamikaruk
[热点前沿 ] [已完结]第一性原理国内外研究小组    ( 1 2 ) (15/2084) hwceng0816 2012-11-15 2012-11-21 08:07:02 by qingqiu
[热点前沿 ] [已完结]如何计算石墨烯孔径的范德华半径? (0/1420) hw45888792 2012-11-20 2012-11-20 14:02:55 by hw45888792
[热点前沿 ] [已完结]有关吸附氧化的一篇英文文献 帮我分析一下 (0/327) inception413 2012-11-16 2012-11-16 20:47:08 by inception413
[热点前沿 ] 请问稀磁半导体现在还热吗? (2/472) jymm 2012-11-11 2012-11-14 09:20:33 by jymm
[热点前沿 ] [已完结]有关钠离子电池电极模型构建 (0/393) xiaoboy185 2012-11-13 2012-11-13 21:24:58 by xiaoboy185
[热点前沿 ] 如何建立晶界模型? (1/905) lijuanshu 2012-11-13 2012-11-13 13:37:55 by lijuanshu
[热点前沿 ] 如何做出漂亮的计算结果图 (13/2607) farfaraway08 2012-11-09 2012-11-12 08:21:30 by farfaraway08
[热点前沿 ] [已完结]LUMO图如何得来以及orbital energy 如何计算 (7/1432) jianying8996 2012-11-02 2012-11-09 11:14:13 by jianying8996
[热点前沿 ] [已完结][关贴]【求助】怎么从态密度分析某个能级的电子容纳数? (0/442) jay743 2012-11-08 2012-11-08 22:48:32 by jay743
[热点前沿 ] 如何确定计算结果的可靠性? (0/450) juloong 2012-11-08 2012-11-08 21:51:38 by juloong
[热点前沿 ] [已完结]请教XAFS可以做熔体的结构吗? (0/200) yangjian85 2012-11-08 2012-11-08 16:09:06 by yangjian85
[热点前沿 ] [已完结][b][u]对于半导体材料,如何精确确定导带底附近电子状态密度?[/u][/b] (3/1433) xm427 2012-10-13 2012-10-28 00:54:51 by xm427
[热点前沿 ] [已完结]电荷差分密度图的截面图怎么做出来 (7/1650) 285058420 2012-10-24 2012-10-27 15:57:27 by awmc2008
[热点前沿 ] 计算掺杂的时候如何确定掺杂的位置 (4/1197) beyondstar 2012-10-25 2012-10-27 08:58:44 by Lathander
[热点前沿 ] 如何建晶界以及计算元素偏聚在晶界的一些性质?? (5/1350) lijuanshu 2012-10-24 2012-10-26 23:11:37 by wangjb401
[热点前沿 ] [已完结]键布局数为负 (2/1027) janet2012222 2012-10-07 2012-10-26 09:39:31 by anlen0615
[热点前沿 ] 服务器计算过程生成文件HfO2.castep中是否收敛问题 (0/288) anlen0615 2012-10-25 2012-10-25 15:10:15 by anlen0615
[热点前沿 ] [已完结]第一性原理是什么? (2/629) hanmoyuan 2012-10-25 2012-10-25 12:00:58 by stractor
[热点前沿 ] [已完结]关于含能材料和溶剂化物的共晶 (0/732) mawenfeng415 2012-10-24 2012-10-24 16:41:18 by mawenfeng415
[热点前沿 ] 请教磁场对石墨烯条带的作用 (1/834) tiaozaoququ 2012-10-21 2012-10-22 14:56:45 by tiaozaoququ
[热点前沿 ] 小分子吸附问题 (10/1247) 阿猫158 2012-10-20 2012-10-22 11:37:08 by 阿猫158
[热点前沿 ] 用第一性原理能否模拟石墨烯拉曼谱的d-band? (4/1077) gemucai 2011-11-08 2012-10-19 13:37:07 by yuannini
[热点前沿 ] 求助:如何从能带结构分析spin orbit splitting (0/469) chen0210 2012-10-19 2012-10-19 04:19:31 by chen0210
[热点前沿 ] 如何构建无序态的表面结构? (5/605) lijuanshu 2012-10-16 2012-10-17 20:22:01 by to_Landau
[热点前沿 ] 【求助】急求:原子间相互作用势的一个问题 (6/1439) kongjing2009 2010-07-01 2012-10-15 16:42:27 by 诺霖
[热点前沿 ] 氧化物薄膜用什么软件和理论好? (4/662) tiechong 2012-10-12 2012-10-15 12:24:06 by stractor
[热点前沿 ] [已完结]采用vasp ,phononpy或frophon计算声子谱的具体方法是什么? (5/2983) tt-0-8 2012-03-15 2012-10-11 06:04:57 by shyzhhx13
[热点前沿 ] [已完结]关于如何构建金刚石团簇的问题 (0/546) farfaraway08 2012-10-10 2012-10-10 17:40:26 by farfaraway08
[热点前沿 ] [已完结]original里面图中的图标如何处理 (1/760) xk6891 2012-10-10 2012-10-10 15:57:24 by xk6891
[热点前沿 ] 那种可视化软件可以在上面划线? (1/381) gemucai 2012-10-05 2012-10-05 23:19:48 by tangosnow
[热点前沿 ] 关于磁性的论文学习 (4/847) aibude163 2012-09-27 2012-09-28 16:50:13 by blackdogzmz
[热点前沿 ] [已完结]求会计算MPB的高手 (1/603) qqxiwuzhiren 2012-09-27 2012-09-27 21:57:25 by iamikaruk
[热点前沿 ] trap density of states 作何解?求教高手 (0/998) bianyuan2680 2012-09-27 2012-09-27 10:34:15 by bianyuan2680
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