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[热点] 课题组招2027级博士 上海工程技术大学 激光智能制造方向 oxidpl 2026-09-21 刚刚
[MS] [已完结]关于纳米线在MS中的建模 (3/1386) xiaoyouzhi 2012-12-07 2014-04-21 14:12:15 by daba2016
[热点前沿 ] [已完结]Elsevier 论文投稿问题 (1/503) sss3012 2014-04-21 2014-04-21 11:27:55 by mywai520
[MS] [已完结]求尖晶石型锰酸锂的晶格参数 (2/1112) xmc2014 2014-04-21 2014-04-21 10:59:09 by xmc2014
[Abinit] [已完结]超晶胞电声耦合计算的问题 (2/861) 灿烂的幸福 2014-04-14 2014-04-21 10:12:48 by 灿烂的幸福
[Vasp&Me ] [已完结]锗的能带 (6/1082) davimi 2014-04-17 2014-04-21 09:56:06 by davimi
[Vasp&Me ] [已完结]热力学性质计算 (3/1803) 墨明棋妙陈 2013-12-09 2014-04-21 08:57:52 by lulutiantian
[MS] [已完结]求助MS如何模拟不同的相对湿度下的平衡问题? (0/442) insecret 2014-04-21 2014-04-21 08:39:32 by insecret
[MS] [已完结]用Materials-Studio-Dmol3 做动力学模拟能不能同时把磁矩输出 (5/1584) vasp001 2014-04-19 2014-04-21 08:21:16 by 嗨王and娜娜
[其他] [已完结]请问能带计算需要保证收敛吗? (6/1523) xiewenze 2014-04-19 2014-04-21 08:18:34 by 嗨王and娜娜
[其他] 【活动】Show 脚本,赢奖励 (评阅+10) (23/5655) uuv2010 2011-09-24 2014-04-21 07:05:07 by 297186690
[Vasp&Me ] [已完结]做电荷密度图的问题    ( 1 2 ) (12/2505) 苦行客 2014-04-16 2014-04-20 23:32:05 by sjzxbe
[MS] 急求哪位大神解惑 (2/626) Water_0423 2014-04-10 2014-04-20 19:48:39 by Water_0423
[其他] [已完结]谁有GAUSSIAN 版权信息呀。。。我们木有买 (2/487) daixiujuan52 2014-04-18 2014-04-20 16:01:48 by daixiujuan52
[Vasp&Me ] [已完结]VASP计算DOS遇到问题了 求助求助 (1/751) Alice_0309 2014-04-20 2014-04-20 15:14:07 by mywai520
[MS] [已完结]MS 6.0总是提示licence 无效 (3/717) jnjnsun 2014-04-20 2014-04-20 15:07:43 by jnjnsun
[热点前沿 ] [已完结]有没有人知道杂原子掺杂位置对半导体导电性的影响,或者说有没有影响。 (5/1180) maoshanjun 2014-04-17 2014-04-20 14:51:33 by maoshanjun
[Abinit] [已完结]请问ABINIT计算excitation energy是针对什么体系的? (4/886) fishonwave 2014-04-03 2014-04-20 13:58:42 by fishonwave
[Vasp&Me ] [已完结]回复审稿意见——几种元素加U的问题 (8/2466) 707462558 2014-04-14 2014-04-20 13:47:35 by 707462558
[Abinit] rprim的选取 (3/919) lidx123 2014-04-07 2014-04-20 12:51:18 by yqzheng
[其他] [已完结]求各位高手帮帮忙,怎么用matlab画这样一个图,, (4/1222) clown9111014 2014-04-11 2014-04-20 08:53:20 by 416726641
[MS] [已完结]不同掺杂原子位置稳定性判断    ( 1 2 ) (12/3457) fyh987 2012-05-07 2014-04-20 05:10:50 by aaq2800
[QE(Pwsc ] pwscf计算收敛太慢 (5/1552) zsjan 2014-04-19 2014-04-20 02:29:18 by huxiao.gl
[MS] [已完结]氢化非晶硅建模 (1/528) kingskyfull 2014-04-19 2014-04-19 23:22:07 by mywai520
[热点前沿 ] 大家进来讨论一下,关于几何优化的问题 (2/557) yy82610155 2014-04-19 2014-04-19 20:39:48 by yy82610155
[其他] [已完结]Origin里有个东西弄没了,各位帮忙看一下 (4/1320) wangjl712 2014-04-18 2014-04-19 20:16:07 by wangjl712
[Abinit] [已完结]Abinit结构优化时使用自动优化给出的不是最优解? (3/860) ice_burg 2014-03-27 2014-04-19 19:31:12 by yqzheng
[MS] [已完结]程序自动关闭 (3/341) 0411caibo 2014-04-18 2014-04-19 12:51:34 by mywai520
[MS] [已完结]透射谱 castep (1/1324) shixiuyang 2014-04-19 2014-04-19 12:20:47 by mywai520
[MS] [已完结]如何从MS中将模型位置信息导出成.xyz格式? (3/1919) 黑暗游侠 2014-04-18 2014-04-19 11:01:45 by mywai520
[其他] [已完结]寻找中南大学粉末冶金研究院同学(老师) (0/1098) 大海12345 2014-04-19 2014-04-19 10:55:01 by 大海12345
[热点前沿 ] [已完结]关于态密度的讨论,partially filled和fully occupied的区别 (1/936) dlsll90 2013-09-16 2014-04-19 07:07:05 by 心宁
[MS] [已完结]像这种ZnO晶格中,纳米线右边的空隙对计算有影响么? (3/611) 一川烟草 2014-04-18 2014-04-18 23:50:16 by HAN_G
[MS] [已完结]非局域函数电荷缺陷收敛问题? (1/643) sss3012 2014-04-18 2014-04-18 22:08:04 by 卡开发发
[Vasp&Me ] [已完结]如何计算缺陷的能级 (1/1677) beibeilover 2014-04-18 2014-04-18 16:37:35 by 灯塔守望者
[其他] [已完结]关于电子轨道能量的问题,请大家帮忙解答一下! (6/1574) jymm 2014-04-17 2014-04-18 14:44:10 by jymm
[MS] [已完结]6.1安装问题 (1/316) 122101948 2014-04-18 2014-04-18 11:35:10 by mywai520
[其他] [已完结]如何利用MS对同种掺杂浓度不同掺杂位置的晶胞进行稳定性的比较??? (5/1589) 张容之 2014-04-17 2014-04-18 11:26:52 by mywai520
[Vasp&Me ] [已完结]续跑的一些问题,小女子恳求大侠了 (5/1071) joyce79928 2014-04-17 2014-04-18 10:36:11 by joyce79928
[Vasp&Me ] [已完结]vasp中如何实现不等价掺杂计算,比如Pd2+掺杂SnO2 (2/770) jcifzu 2014-04-09 2014-04-18 10:12:12 by mywai520
[MS] CASTEP计算单原子时,K点为何选择GAMMA的理解 (0/1910) 浔荆 2014-04-18 2014-04-18 10:01:57 by 浔荆
[Wien2k& ] [已完结]怎么设置Rmt问题 (7/2348) andy充 2014-03-12 2014-04-18 09:48:24 by andy充
[MS] [已完结]bcc金属锂结合能计算与文献中差别很大 (9/2455) purplesdd 2014-04-15 2014-04-18 09:42:42 by purplesdd
[MS] 【求助】MS建模替换原子    ( 1 2 3 ) (24/6942) liangping3881 2010-03-15 2014-04-18 04:54:57 by qlsy
[Wien2k& ] wien2k糕模半径 (0/486) wzz444 2014-04-17 2014-04-17 22:12:43 by wzz444
[热点前沿 ] 表面重构的模拟新方法与金刚石表面的自组装碳纳米管阵列 (1/1209) hedaors 2014-04-17 2014-04-17 21:33:47 by gavinliu7390
[其他] [已完结]问一下,这几个符号啥意思? (8/2059) 最后的张起灵 2014-04-15 2014-04-17 20:55:43 by 最后的张起灵
[Vasp&Me ] 表面声子谱 (0/452) pinwei2014 2014-04-17 2014-04-17 19:46:39 by pinwei2014
[Vasp&Me ] [专家] [已完结]关于(VASP)Fe100表面的SCF收敛    ( 1 2 ) (19/3241) 卡开发发 2014-04-15 2014-04-17 18:53:38 by 卡开发发
[MS] 【求助】CASTEP计算介电常数 (4/1901) jgq880125 2011-03-25 2014-04-17 18:05:02 by 叶仙儿
[QE(Pwsc ] 【求助】第一原理分子动力学都能计算什么性质呢?    ( 1 2 ) (14/3584) identation 2010-05-19 2014-04-17 17:51:42 by 叶仙儿
[MS] [已完结]AC模块建模问题 (0/680) 安安猫 2014-04-17 2014-04-17 16:57:23 by 安安猫
[Vasp&Me ] 大家讨论一下BiFeO3 体系中,磁性对振动性质的影响 (15/1264) future_wl 2013-09-04 2014-04-17 15:35:18 by yipaishi
[MS] [已完结]是不是用LST/QST寻找过渡态收敛性不太好? (0/471) ansysabaqus 2014-04-17 2014-04-17 15:29:58 by ansysabaqus
[MS] DMol3寻找过渡态有点慢啊。。。E3V2四核八线程算个18原子的,都两天了还没搞定 (7/1592) ansysabaqus 2014-04-11 2014-04-17 15:12:53 by ansysabaqus
[MS] [已完结]反应物之间反应能量 (1/376) 547475289 2014-04-17 2014-04-17 14:11:05 by mywai520
[MS] [已完结]MS小白求助晶体结构优化计算过程中结构变化 (1/673) nnccll01 2014-04-17 2014-04-17 14:09:40 by mywai520
[Vasp&Me ] [已完结]vasp计算雨贡纽曲线 (5/1794) 叶仙儿 2013-02-28 2014-04-17 14:06:56 by 叶仙儿
[MS] 在MS中可以改变温度计算吗? (0/956) xhj08 2014-04-17 2014-04-17 11:13:06 by xhj08
[Vasp&Me ] [已完结]钻石中掺杂Eu晶体用vesta画图 (4/2072) lina_1016 2014-04-17 2014-04-17 11:09:28 by lina_1016
[MS] [已完结]结构优化后切(111)面计算能带密度出现问题? (3/1096) 初之 2014-04-16 2014-04-17 10:49:56 by 初之
[Vasp&Me ] [已完结]在化学吸附的过程中,用什么方法研究原子间是否成键和成键方式? (4/2167) 真想1943 2014-04-16 2014-04-17 10:20:24 by 真想1943
[Vasp&Me ] [已完结]p4vasp的能带显示,横坐标中k-point distance的数字表示什么意思? (2/2177) 扎西彭措 2014-04-16 2014-04-17 08:14:56 by 李天帮
[QE(Pwsc ] [专家] 建立石墨烯(Graphene)的模型 (26/16447) souledge 2012-01-25 2014-04-17 07:13:26 by ice_burg
[Vasp&Me ] [已完结]求问vasp5.2.12在redhat上的编译 (5/1747) jiewei 2014-04-17 2014-04-17 01:03:11 by mywai520
[Vasp&Me ] [已完结]专业方向求助!! (3/879) Thirty_ZL 2014-03-28 2014-04-16 21:54:45 by mywai520
[其他] phonopy v_sim (0/2525) dahuchang 2014-04-16 2014-04-16 21:25:58 by dahuchang
[Vasp&Me ] [关贴]【求助】vasp FM和AFM计算总磁矩一样 (4/1938) mywai520 2010-12-30 2014-04-16 18:05:59 by mywai520
[Abinit] [已完结]phonon linewidths是什么概念呢? (0/721) 木木爱漂流瓶 2014-04-16 2014-04-16 17:10:28 by 木木爱漂流瓶
[Vasp&Me ] [已完结]弛豫的时候收敛问题 (1/799) song8235269 2014-04-16 2014-04-16 16:47:38 by mywai520
[MS] [已完结]请问group based怎么样设置group~ (0/311) Cherike 2014-04-16 2014-04-16 15:06:31 by Cherike
[MS] CASTEP里用模守恒赝势计算声子谱与超软赝势为什么不一致 (0/1079) hailan2005 2014-04-16 2014-04-16 10:45:54 by hailan2005
[MS] 菜鸟 求问用MS 如果建立如下两个模型,谢谢 (0/413) insecret 2014-04-16 2014-04-16 09:52:32 by insecret
[Vasp&Me ] VESTA为什么不能导出 2D 电荷密度的数据? (5/3227) keitapsp 2011-05-01 2014-04-16 07:42:15 by zhangcxml
[Vasp&Me ] [已完结]请教做nanosheet吸附时候isif的设置 (2/695) xiaoboy185 2014-04-15 2014-04-15 20:47:01 by 嗨王and娜娜
[MS] [已完结]算表面中原子的弛豫,用的分数坐标吗?分数坐标有单位吗? (1/680) jingjing1023 2014-04-15 2014-04-15 20:41:35 by 嗨王and娜娜
[其他] [已完结]理论模拟 XANES    ( 1 2 ) (14/2504) 韩D小希 2013-07-15 2014-04-15 18:06:29 by 韩D小希
[MS] [已完结]双层石墨烯建模-调距离 (4/1372) lmzhao 2013-06-26 2014-04-15 17:32:39 by mywai520
[MS] [已完结]关于castep 能量收敛测试 (4/1382) cholmon 2014-04-14 2014-04-15 17:00:26 by zique
[MS] [已完结]请问有大神见过这种能带图没啊?感觉很奇怪? (8/1654) lijiao_112 2013-10-29 2014-04-15 13:05:59 by nfsex
[MS] CASTEP对优化后的晶体进行分态密度分析,应该怎么操作    ( 1 2 ) (14/4457) leon11012 2012-02-27 2014-04-15 12:42:27 by 雨小月123
[MS] [已完结]安装7.0成功,但无法创立新文件,求助! (2/545) yongzhi2008 2014-04-14 2014-04-15 11:19:55 by yongzhi2008
[Vasp&Me ] 怎样生成movie文件 (6/1454) 失败的路人 2014-04-15 2014-04-15 09:59:51 by 失败的路人
[MS] [已完结]如何在linux系统服务器中查看material studio计算结果    ( 1 2 ) (17/2757) shangshui123 2014-04-11 2014-04-15 09:37:08 by 飞行鸟
[MS] [已完结]CASTEP和VASP的计算精度是否标准一致? (9/3090) luoxuanhao 2014-04-12 2014-04-15 09:31:39 by future_wl
[Vasp&Me ] [已完结]求问DOSCAR (4/677) will_0929 2013-05-13 2014-04-15 08:48:33 by 171713294
[Vasp&Me ] 【求助成功】怎么使用DOSCAR画出DOS图形    ( 1 2 3 ) (23/7619) gleerat 2010-01-20 2014-04-15 08:30:36 by sungjen
[其他] [已完结]计算出现:forrtl: severe (174): SIGSEGV, segmentation fault occurred (7/3873) mao_benben 2012-11-28 2014-04-15 06:13:49 by 肖昏昏
[MS] [已完结]CASTEP优化问题    ( 1 2 ) (10/2542) 幸雪冰 2014-03-26 2014-04-15 00:27:42 by 卡开发发
[MS] [已完结]这种并排的图为什么画不出来 (2/396) ansysabaqus 2014-04-14 2014-04-14 23:52:32 by mywai520
[Vasp&Me ] 做vasp计算,是购买服务器还是继续购买机时 (34/3005) Janus2024 2014-03-26 2014-04-14 23:51:19 by mywai520
[Vasp&Me ] vasp杂化交流 (8/1330) zuocuiping 2014-04-11 2014-04-14 19:49:45 by zuocuiping
[MS] 【求助】勾选与不选optimize cell 的差异 (15/4666) longwangye 2011-03-03 2014-04-14 18:08:04 by yeahgyz
[Vasp&Me ] [已完结]杂化泛函计算时的参数设置 (8/2075) xuejing141 2013-06-01 2014-04-14 17:30:19 by 707462558
[热点前沿 ] VASP外加压强对体系的影响 (3/1467) damao4361556 2014-04-12 2014-04-14 16:49:47 by 段建霞
[其他] 关于量子场的学习 (0/289) luqing6879 2014-04-14 2014-04-14 13:41:19 by luqing6879
[Vasp&Me ] [已完结]能带计算问题 (7/979) mazuju028 2014-04-01 2014-04-14 10:06:47 by mywai520
[MS] [已完结]求大神指导castep计算带结构和态密度失败 (1/622) yy82610155 2014-04-14 2014-04-14 09:35:02 by dx0620
[MS] [已完结]materials studio 任何模块都不能运行总是 server busy (3/2293) yuandanuc 2013-11-14 2014-04-14 08:22:36 by cluster8676
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