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[热点] 280求调剂 Qq206./ 2026-02-25 刚刚
[版务] 2015年01月值日报道贴 (评阅+5) (8/788) liliangfang 2014-12-30 2015-01-31 21:31:10 by ljw4010
[Vasp&Me ] [已完结]vasp安装vtstcode时要不要对之前编译好的vasp执行make clean (1/1037) dingniu2 2015-01-31 2015-01-31 20:03:19 by 未岸亡灵
[Vasp&Me ] [已完结]画完能带图之后处理    ( 1 2 ) (14/1657) tsglss 2013-06-27 2015-01-31 18:32:38 by tsglss
[MS] [已完结]请问,哪位高人帮我解释一下异质结和量子阱之间的区别呀?谢谢 (9/1336) tsglss 2014-10-28 2015-01-31 18:31:59 by tsglss
[MS] [已完结]安装时出现问题,急需解决! (4/516) s044154lyg 2015-01-29 2015-01-31 17:09:23 by Ivy286
[Vasp&Me ] [已完结]表面结构加vdw计算表面能    ( 1 2 ) (11/1345) 菲顶顶 2015-01-26 2015-01-31 15:32:19 by 菲顶顶
[Vasp&Me ] [已完结]vasp编译出错 (1/333) 如花和小宝 2015-01-30 2015-01-31 09:57:19 by hybren
[其他] 【讨论】能垒(Ea)与温度(KT)的关系 (评阅+3) (9/3789) cenwanglai 2010-07-31 2015-01-31 06:44:06 by 对马拉二胡
[MS] Castep 优化时,原子坐标位置的优化 (10/4240) fansw1129 2012-12-22 2015-01-30 23:14:58 by junhuisun
[Vasp&Me ] [已完结]菜鸟求助:VASP能带计算问题 (8/1374) bianyuan2680 2015-01-29 2015-01-30 17:22:21 by bianyuan2680
[Vasp&Me ] [已完结]GW近似的计算速度快么?最多计算多少个原子? (7/3494) 发光的橘子 2011-06-23 2015-01-30 16:44:22 by luzihen
[Vasp&Me ] [已完结]vasp安装ifort: command line remark #10148: option '-lowercase' not supported (1/3721) dingniu2 2015-01-30 2015-01-30 14:52:50 by KalaShayminS
[Vasp&Me ] [已完结]0GPa, 0K时能垒为0.023eV/atom, 300K时会反应吗? (4/970) 对马拉二胡 2015-01-29 2015-01-30 11:31:34 by 对马拉二胡
[Vasp&Me ] [已完结]求助关于偶极修正的问题! (1/861) stephenew 2015-01-28 2015-01-30 11:26:46 by stephenew
[MS] [已完结]大神帮忙,看我的模型对否,可以用么? (5/658) zhenglijun-8 2015-01-29 2015-01-30 10:22:36 by zhenglijun-8
[MS] [已完结]急急急!求教materials studio 中castep模块计算能量问题! (2/2184) 小蟒Andy 2015-01-29 2015-01-30 09:17:29 by 小蟒Andy
[其他] [已完结]如何能自动掌握自己研究方向的及时动态? (1/1017) 果果果莹莹莹 2015-01-29 2015-01-29 20:10:44 by aibude163
[MS] [已完结]请问掺杂形成能如何计算呢? (1/2324) gdwxky 2015-01-29 2015-01-29 11:18:04 by 未岸亡灵
[MS] 【求助】金属间化合物和有序固溶体的区别    ( 1 2 ) (15/3757) 火柴天堂7909 2009-10-29 2015-01-29 07:26:46 by fxh0402
[Wien2k& ] [已完结]wien2k并行.machines文件怎么写?    ( 1 2 ) (13/2902) wswangs 2015-01-26 2015-01-28 21:28:33 by ljw4010
[其他] [已完结]求助-计算几个化学键的BDE    ( 1 2 ) (11/2906) 汶水长流 2015-01-27 2015-01-28 19:07:50 by chiweijie
[MS] [已完结]用castep计算TiO2表面能和吸附能 (4/3979) leachmond 2011-12-11 2015-01-28 18:28:54 by 我爱砖头
[热点前沿 ] 【求助】声子与相变 (1ST强帖+1)(28/4368) identation 2010-12-03 2015-01-28 16:16:04 by 奋力拼搏
[MS] 【求助】SiO2/SiC界面结构的搭建问题 (评阅+1) (4/1274) vinbert 2010-07-30 2015-01-28 12:16:35 by 风雨彩虹1602
[Vasp&Me ] [已完结]求助:VASP计算广义层错能GSFE的方法问题是否有误? (3/1793) 鲤鱼飞 2013-06-17 2015-01-28 12:16:03 by shuoshuohome
[热点前沿 ] 半导体材料多缺陷问题的研究 (2/1174) Dirac12345 2014-11-19 2015-01-28 11:57:18 by tsglss
[Vasp&Me ] [已完结]计算出极化强度矢量后,怎么判断它是沿哪个晶向?(如[111],[001]) (5/1770) donggaomin 2011-06-18 2015-01-28 11:47:25 by liutaifeng
[其他] [已完结]求关于Y单质在不同压力下的结构的文献或是结构数据 (0/226) diandianer 2015-01-28 2015-01-28 11:04:34 by diandianer
[其他] [已完结]VESTA无法画出正确的配位多面体 (1/2805) cruiser0631 2015-01-27 2015-01-28 10:42:59 by fzx2008
[Vasp&Me ] [已完结]用PBS提交任务出错,请各位高手帮忙指点一下。谢谢大家~~ (0/1369) hjl89 2015-01-28 2015-01-28 08:41:24 by hjl89
[MS] [已完结]怎么用castep计算ZnO的光学属性,新手入行,有个稍具体的步骤最好 (0/320) 我爱砖头 2015-01-27 2015-01-27 21:14:20 by 我爱砖头
[Vasp&Me ] [已完结]POTCAR文件的选取问题 (0/1197) sunyj1409 2015-01-27 2015-01-27 20:07:09 by sunyj1409
[Vasp&Me ] [已完结]如何较为准确的获得力常数矩阵? (3/3019) thuabalone 2013-12-16 2015-01-27 19:40:13 by 蓝莓微积分
[Vasp&Me ] [已完结]已知反应能垒,可不可以求反应温度? (4/1276) 对马拉二胡 2015-01-27 2015-01-27 18:35:30 by 对马拉二胡
[Vasp&Me ] [已完结]vasp出现Error reading item 'IMAGES' from file INCAR请问哪错了? (0/1288) 枫魔馨 2015-01-27 2015-01-27 17:19:09 by 枫魔馨
[MS] [已完结]三价Cr和六价Cr在SrTiO3晶体中的掺杂的晶胞建立是怎样的? (1/610) changle88 2015-01-27 2015-01-27 15:48:32 by changle88
[Vasp&Me ] [已完结]VASP中偶极矩修正是如何做的? (0/3953) 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? (4/1265) 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 (4/1487) 骆驼忍着 2015-01-22 2015-01-26 23:23:15 by liqizuiyang
[MS] 【求助】MS forcite动力学问题    ( 1 2 ) (评阅+2) (13/2742) tjufyn 2010-08-24 2015-01-26 17:34:30 by lidihui1992
[MS] [已完结]求各位大神帮忙修背底 (0/410) 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 ) (11/2701) 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? (1/4217) 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 (2/3931) 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 (0/447) 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 (0/395) emmachen 2015-01-26 2015-01-26 09:32:22 by emmachen
[Vasp&Me ] 讨论个技术性问题,实验当中的【势垒】和计算当中的【静电势】之间的关系。 (7/1103) 一川烟草 2014-12-21 2015-01-25 22:14:17 by 一川烟草
[其他] [已完结]cygwin使用中的问题···· (1/374) 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 (0/814) 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 (7/1276) 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 (2/2355) Janus2024 2015-01-24 2015-01-25 01:58:20 by stractor
[MS] [已完结][关贴]XRD精修 (评阅-20) (4/1227) 276897678976 2015-01-17 2015-01-24 20:20:03 by ljw4010
[Siesta& ] SIESTA scf不收敛,怎么办? (5/2465) smartly 2011-02-25 2015-01-24 18:55:49 by xwu10
[MS] castep有两处可以看各个原子磁性,请问这两种结果的差异? (10/903) 七夕墨 2015-01-24 2015-01-24 12:57:30 by 冲着太阳微笑
[Wien2k& ] [已完结]联网/IP (2/541) 513014736 2015-01-23 2015-01-24 12:54:36 by 513014736
[MS] tio2 掺杂和氧空位问题的讨论 (0/2070) haodalong218 2015-01-24 2015-01-24 12:10:10 by haodalong218
[MS] [已完结]Material-studio 6.0安装和卸载问题 (1/2977) 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 ) (18/5695) 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? (3/654) 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 (6/804) 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 (0/186) ysun2014 2015-01-23 2015-01-23 19:10:23 by ysun2014
[Vasp&Me ] [已完结]求助γ-Al2O3 (1/277) 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 (0/381) 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 (5/1048) zyqh 2015-01-22 2015-01-23 15:07:05 by 飞行鸟
[Vasp&Me ] [求助]光吸收系数 (13/5224) 小豆sumy 2011-11-22 2015-01-23 13:40:17 by 天罡寒星
[Vasp&Me ] 【求助成功】WARNING: dimensions on CHGCAR file are different    ( 1 2 ) (10/7116) bnliu 2010-11-05 2015-01-23 12:54:40 by zyqh
[MS] [已完结]Materials-studio 6.0 (2/506) 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? (0/1018) 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 (0/487) 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 (1/1511) 王梦ariel 2014-09-13 2015-01-22 17:50:17 by 王wzz
[热点前沿 ] 洋葱方法可以做EDA分析么? (0/243) 川仔猫 2015-01-22 2015-01-22 16:35:36 by 川仔猫
[Vasp&Me ] [已完结]如何用origin画出CHGCAR的等值线的图?急求! (3/1525) 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? (4/1271) 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 ) (14/5775) 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 (6/2409) 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? (4/1400) 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 ) (29/4340) xiaobo5412 2014-05-11 2015-01-22 05:43:38 by ysun2014
[Vasp&Me ] 【求助】vasp5.2用B3LYP计算    ( 1 2 3 ) (21/3936) ljx2006 2010-06-07 2015-01-21 21:02:36 by stractor
[MS] [已完结]2*Integrated Spin Density (0/1185) alix 2015-01-21 2015-01-21 20:33:43 by alix
[其他] [已完结]自旋轨道耦合 (0/682) 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 (2/2617) suxin_phy 2014-12-10 2015-01-21 15:24:39 by suxin_phy
[MS] [已完结]spin 以及 alpha and beta (6/1600) wangle_17 2015-01-20 2015-01-21 13:04:41 by wangle_17
[Siesta& ] [已完结]关于结构优化 (6/1286) 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 ) (13/3212) 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? (4/943) 吕小强强 2014-10-05 2015-01-21 06:56:51 by 一刀胡
[Vasp&Me ] 【求助】请问VASP如何固定住磁矩进行计算 (9/2529) calos818 2011-04-05 2015-01-20 21:47:13 by fzx2008
[MS] Castep结构优化,需要make P1吗? (0/2544) diezhuzhu 2015-01-20 2015-01-20 21:19:06 by diezhuzhu
[Vasp&Me ] 【求助】VASP怎么考虑自旋极化? (14/7497) xiaowu787 2010-11-18 2015-01-20 14:32:15 by taoyanyaya
[Vasp&Me ] [已完结]非极性表面模型中的赝势氢是否必须? (5/1208) gfunction 2015-01-18 2015-01-20 11:04:42 by 未岸亡灵
[Vasp&Me ] 表面计算出错TACC: MPI job exited with code: 1 (1/845) huyaoqiao 2015-01-20 2015-01-20 10:25:59 by huyaoqiao
[MS] [已完结]castep计算bandstr后模型发生移动 (8/1365) 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? (1/974) 小布丢 2015-01-18 2015-01-19 21:20:02 by mhslee
[其他] 新型薄膜太阳电池北京市重点实验室博士后招聘 (3/741) lgljk 2015-01-15 2015-01-19 21:11:23 by tsglss
[Vasp&Me ] [已完结]CrO2 (8/1144) Misschen 2015-01-13 2015-01-19 20:03:55 by Misschen
[MS] [已完结]被发光学报退稿了 (9/2417) 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 (7/945) 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 (0/209) lizaza 2015-01-19 2015-01-19 15:11:27 by lizaza
[MS] [已完结]Ms建模问题 (2/460) fq090220 2015-01-19 2015-01-19 15:10:14 by fq090220
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