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[热点] 2024 - Atropisomerism in Asymmetric Organic Synthesis asymmsyn 2026-02-05 刚刚
[Vasp&Me ] 【求助成功】vasp作动力学用哪个系综?    ( 1 2 ) (10/743) jghe 2009-06-01 2009-10-12 10:06:54 by zhangkun7581
[MS] 【求助】磁性体系态密度的问题 7 (9/1199) 375713000 2009-10-09 2009-10-11 20:23:45 by shalier
[其他] 【求助】会VMD的请进 (7/755) 皓儿165 2009-07-07 2009-10-11 18:41:20 by qasd
[Wien2k& ] 【求助】case.engre 文件是怎么产生的?    ( 1 2 ) (14/759) gzqdyouxia 2009-09-22 2009-10-11 17:55:58 by gzqdyouxia
[MS] 【求助】TDOS (7/1056) Huanhuan5360 2009-10-10 2009-10-11 16:21:32 by Huanhuan5360
[MS] 【求助】关于掺杂ZnO材料的Mn材料如何设置问题 7 (9/874) okhere8815 2009-10-07 2009-10-11 12:45:59 by scuccc
[MS] 【求助】建超晶胞的原则? 5 (4/751) iamkz 2009-10-10 2009-10-11 11:09:22 by fo3mt2
[其他] 【求助】电子态密度费米面分析    ( 1 2 ) 1 (11/1117) yjr 2009-09-17 2009-10-11 10:48:06 by yachunwang
[MS] 【讨论】真空层的选择 (0/189) lxrui 2009-10-11 2009-10-11 10:10:48 by lxrui
[MS] 【求助】TDOS 2 (2/196) Huanhuan5360 2009-10-10 2009-10-11 08:21:05 by liusanbing
[Vasp&Me ] 【求助】vasp分子动力学的数据处理问题    ( 1 2 ) (11/1450) langes 2009-04-23 2009-10-11 00:48:43 by hyj0752
[Vasp&Me ] 【求助】TS优化问题    ( 1 2 ) (11/712) huangyc 2009-09-07 2009-10-10 23:16:34 by fanchen021
[MS] 【求助】[求助]MS中如何画出堆积的轨道图 (1/153) dezhi603 2009-10-10 2009-10-10 22:34:36 by shenxianshifu
[Vasp&Me ] 【求助】the distance between some ions is very small (6/763) 子虚乌有5388 2009-10-08 2009-10-10 22:00:54 by wuchenwf
[Vasp&Me ] vasp分子动力学结果怎么处理?求 (评阅-1) (6/1268) zcyi 2008-12-19 2009-10-10 21:45:22 by lz830617
[其他] 【求助】怎么没有看到关于Hyperchem的帖子?不用了? (2/190) fu8777 2009-10-09 2009-10-10 21:23:55 by identation
[MS] 【求助】问几个比较弱的问题。 (2/201) 学员LmQ9Dy 2009-10-10 2009-10-10 21:17:19 by B.C.Wang
【求助】请教计算过程出错问题 (评阅+1) (1/166) vasp 2009-10-10 2009-10-10 19:55:54 by zhangfan2192
[Vasp&Me ] 【求助】[求助]DOSCAR的分布问题 (1/205) mermaid1128 2009-10-09 2009-10-10 12:24:07 by wangzg9292
[MS] 【求助】如何画出特定构型的分子模型? (8/788) qiangwxr 2009-09-29 2009-10-10 12:03:28 by redskywei
【求助】我是个做实验的菜鸟,问个关于极化度的问题    ( 1 2 ) (14/671) btvipvip 2009-10-04 2009-10-10 11:23:52 by yzcluster
[MS] 【讨论】MS正版授权软件的价格    ( 1 2 ) (评阅+1) (14/1059) guosy1999 2009-09-28 2009-10-10 08:48:12 by guosy1999
[Siesta& ] 【求助】siesta中的赝势问题 (3/560) Huanhuan5360 2009-05-24 2009-10-10 08:28:04 by kkou
[Vasp&Me ] 【求助】VASP安装崩溃    ( 1 2 ) (17/2219) dzhijie 2009-09-26 2009-10-09 23:30:54 by wangle_xq
[Vasp&Me ] 【求助】为什么优化和自洽计算 出来的磁矩相差很大? (4/682) 学员BqhKvV 2009-10-08 2009-10-09 23:01:32 by duanludy
[Abinit] 【求助】到底怎么安装abinit啊?头都大了! (8/806) 学员LmQ9Dy 2009-07-08 2009-10-09 21:54:30 by identation
[Abinit] 【分享】ABINIT 并行安装与应用 (10/1936) zxzj05 2009-03-21 2009-10-09 20:35:42 by zdhlover
[MS] 【求助】欲求materials-studio 高手请教问题 (1/211) mimeng 2009-10-08 2009-10-09 19:58:29 by zdhlover
[MS] 【求助】dmol计算 6 (2/178) shalier 2009-10-09 2009-10-09 19:27:43 by shalier
[MS] 【求助】相变 (3/389) Huanhuan5360 2009-10-07 2009-10-09 19:27:15 by Huanhuan5360
[Abinit] 【求助】请教abinit做光学的一些问题    ( 1 2 ) (15/919) xiaoxue7002 2009-01-05 2009-10-09 19:09:46 by identation
[Vasp&Me ] 【求助】编译求助:could not read symbols: File format not recognized (3/539) calos818 2009-10-09 2009-10-09 18:22:55 by calos818
[MS] 【求助】关于分子动力学方面的文献 10 (0/106) iamkz 2009-10-09 2009-10-09 16:18:58 by iamkz
[MS] 【求助】有关弹性常数 (0/133) liangfh12 2009-10-09 2009-10-09 11:21:32 by liangfh12
[MS] 精华I【分享】最新Material Studio新加坡宣讲ppt    ( 1 2 3 ) (101/6259) freshgirl 2009-07-17 2009-10-09 11:00:17 by liu852388
[Wien2k& ] 【讨论】添加磁场问题 (1/330) yuxc 2009-10-07 2009-10-09 10:31:36 by 小胖妹yz
[Vasp&Me ] 【求助】关于磁矩的计算问题 (2/314) 学员BqhKvV 2009-10-02 2009-10-09 10:23:49 by qscao
[MS] 【求助】Cu2O(111)表面弛豫问题 (3/422) wmz1021 2009-10-06 2009-10-09 10:08:50 by liusanbing
[Abinit] 【讨论】学习abinit你需要掌握多少物理东西 (2/263) sxy5306 2009-10-09 2009-10-09 09:43:16 by yzcluster
[Siesta& ] 【分享】siesta3.0beta版出来了 (20/595) redskywei 2009-10-05 2009-10-09 09:36:36 by fuzp
[Vasp&Me ] 【求助】价带中能有反键轨道吗? 7 (4/440) limaojlu 2009-10-08 2009-10-09 09:30:13 by gavinliu7390
[MS] 【求助】关于Milliken布局计算和分析问题 (9/1075) okhere8815 2009-10-07 2009-10-09 09:28:14 by tianzongchangan
[MS] 【讨论】MS里面的水是什么模型? (6/597) yyx19840628 2009-09-07 2009-10-09 09:26:13 by yyx19840628
[Vasp&Me ] 【讨论】模拟界面原子扩散问题    ( 1 2 ) (14/1711) freer007 2009-08-31 2009-10-09 09:15:26 by wangzg9292
【求助】intel8.0版本的fortran编译器for Linux (5/453) calos818 2009-09-26 2009-10-09 08:47:22 by ghcacj
[Abinit] 【求助】请哪位仁兄帮我写出TiO2的输入文件,在abinit中的 (2/239) wanggq04 2009-09-11 2009-10-09 00:13:06 by identation
【求助】VASP计算表面的疑问    ( 1 2 ) (14/2586) wangle_xq 2009-03-05 2009-10-08 23:51:53 by 化学小工
[Vasp&Me ] 【求助】请指教VASP 总能,DOS,band-structure计算步骤 (9/1387) leoaqu 2009-10-07 2009-10-08 22:46:17 by 化学小工
[MS] 【求助】金属氧化物晶面的选取    ( 1 2 ) 6 (10/760) zhiwan 2009-09-29 2009-10-08 22:21:27 by yzcluster
[其他] 精华I【分享】分享几个关于晶体结构的网站!    ( 1 2 ) (71/6213) lvjian8596 2009-05-14 2009-10-08 22:02:58 by feverforce
[MS] 【求助】询问分子动力学基本问题 (6/520) iamkz 2009-09-30 2009-10-08 21:23:26 by iamkz
[MS] 【讨论】关于计算GCMC的问题 (3/422) 冬凌草8398 2009-09-28 2009-10-08 16:56:55 by ghcacj
[MS] 【求助】动力学错误 2 (0/111) shaopeng6539 2009-10-08 2009-10-08 15:54:19 by shaopeng6539
[MS] 【求助】如何选择键长 1 (0/119) shaopeng6539 2009-10-08 2009-10-08 15:27:41 by shaopeng6539
[Vasp&Me ] 【求助】VASP计算的得到每个能量意义? 3 (2/332) hadone 2009-10-07 2009-10-08 12:04:30 by xirainbow
[Vasp&Me ] 【求助】PGF90全称是什么?官网看到不啊 (2/152) calos818 2009-10-08 2009-10-08 10:58:57 by calos818
[MS] 【讨论】如何设置castep里面的stress选项? (5/1009) wy2008szy 2009-10-06 2009-10-08 09:01:03 by 77585218358
[Abinit] 【求助】ABINIT软件光学计算中动量矩阵的输入文件 3 (4/516) identation 2009-10-05 2009-10-08 08:54:11 by zzy1123
[Vasp&Me ] 【求助】金的晶格参数 (5/677) kylin78 2009-09-30 2009-10-07 21:51:30 by kylin78
[MS] 【求助】Materials-studio 4.4 安装问题 1 (2/254) zn1986 2009-10-07 2009-10-07 21:31:58 by zn1986
【求助】帮忙解释下短语 (评阅+1) (3/182) vasp 2009-10-02 2009-10-07 21:02:56 by vasp
[Vasp&Me ] 【求助】关于akmc 脚本的使用问题 (2/147) ice_rain 2009-09-28 2009-10-07 21:00:17 by ice_rain
[Vasp&Me ] 【求助】如何看应力? (4/712) stractor 2009-10-04 2009-10-07 20:37:11 by wangzg9292
[MS] 【求助】如何实时监控MS中间文件 3 (5/358) freshgirl 2009-09-28 2009-10-07 19:23:06 by franch
[MS] 【求助】求一个materials studio 4.4 在windows上的license文件 (3/413) rain841230 2009-10-07 2009-10-07 18:24:50 by chenzhao6239
[Vasp&Me ] 【讨论】ADAPTIVE KINETIC MONTE CARLO 计算脚本问题 (0/127) ice_rain 2009-10-07 2009-10-07 17:14:52 by ice_rain
[Vasp&Me ] 【求助】编译VASP出错,请教    ( 1 2 ) (17/635) calos818 2009-10-04 2009-10-07 17:03:33 by calos818
[MS] 【求助】如何计算物质的顺磁性 2 (7/883) 静峰 2009-10-04 2009-10-07 16:34:38 by ZJboy
在线讨论:使用vasp,exciting计算材料的磁性问题    ( 1 2 3 4 5 6 .. 8 ) (评阅+13) (72/7796) 灯塔守望者 2008-12-04 2009-10-07 15:52:32 by wzzwwt
[Vasp&Me ] 【求助】哪位有处理PROOUT得到COOP的script (1/166) huangyc 2009-09-29 2009-10-07 10:51:43 by zhangkun7581
[Vasp&Me ] 【求助】dynamical matrix calculation (1/132) gfei2008 2009-09-28 2009-10-07 10:51:09 by zhangkun7581
[MS] 【求助】MS画晶体结构 (9/1361) syf0608 2009-10-05 2009-10-07 10:14:25 by syf0608
[Vasp&Me ] 【求助】vasp在MD计算时报错 3 (0/142) zhangwj908 2009-10-07 2009-10-07 08:52:42 by zhangwj908
[MS] 【原创】中国的电子理论—献给国庆的礼物    ( 1 2 ) (17/836) wangpf 2009-09-28 2009-10-07 03:37:44 by beefly
[Siesta& ] 【求助】越优化越离谱 (8/921) freshgirl 2009-09-29 2009-10-06 22:51:03 by wei.ji
[MS] 【求助】能量平衡问题如何解决 (9/533) shaopeng6539 2009-10-03 2009-10-06 22:28:48 by qasd
【求助】No rule to make target 'base.F'.needed by 'base.f'.Stop (3/318) calos818 2009-10-05 2009-10-06 21:36:41 by calos818
[MS] 【求助】自旋密度图如何画成这样 1 (7/1183) 2008210014 2009-09-30 2009-10-06 20:24:29 by liuxiaocunde
【求助】安装后不能运算例子(已解决) (0/102) yanhy 2009-10-06 2009-10-06 18:18:05 by yanhy
【求助】castep计算铁电材料的拉曼光谱 (4/1082) 四月的城 2009-10-05 2009-10-06 13:22:31 by kugou521
[QE(Pwsc ] 【求助】ph.x计算声子频率 (8/1147) 想念你的歌27 2009-10-04 2009-10-06 12:41:36 by lfhuang
[Siesta& ] 【求助】谁有siesta程序的全电子基组和赝势基组    ( 1 2 ) (11/1105) lz830617 2009-06-19 2009-10-06 12:02:25 by hongjw04
[MS] 【求助】【求助】MS4.2运行问题 (0/129) dgtxzhui 2009-10-06 2009-10-06 11:11:13 by dgtxzhui
[MS] 【求助】CPK模型算分子面积 6 (2/233) caozf 2009-09-18 2009-10-06 10:33:59 by zxzj05
[MS] 【求助】Dmol3中Multiplicity设置问题 6 (2/157) kugou521 2009-10-05 2009-10-06 08:32:02 by kugou521
[其他] 【求助】ICSD2005笔记本使用问题(The search failed……) (3/283) 8240668 2009-07-17 2009-10-05 21:41:31 by syf0608
[MS] 【求助】用gastepj计算没有结果 (0/87) tjzxd 2009-10-05 2009-10-05 21:11:17 by tjzxd
[MS] 【求助】MS计算孤立原子的能量    ( 1 2 ) (15/2745) encke 2009-09-21 2009-10-05 18:07:40 by encke
[MS] 【求助】Linux下MS的运行 (8/652) B.C.Wang 2009-09-22 2009-10-05 15:34:59 by wuli8
[MS] 【求助】MS 晶界能 1 (0/578) 学员QEy9Mj 2009-10-05 2009-10-05 15:16:14 by zwprxiantao
[MS] 【求助】无定形碳的建模问题 (0/364) 风隐幻 2009-10-05 2009-10-05 14:01:33 by 风隐幻
[MS] 【求助】服务器结果丢失 4 (2/155) freshgirl 2009-10-04 2009-10-05 12:19:18 by freshgirl
[MS] 【求助】优化时候利用atuo和spin的区别    ( 1 2 3 ) (27/1541) xiaoboy185 2008-12-04 2009-10-05 11:45:52 by kugou521
[MS] 【求助】MS里dmol3中如何导出布局分析图?? (2/381) lene2359 2009-09-30 2009-10-05 10:38:33 by lene2359
[Vasp&Me ] [求助] 如何设置斜立方晶胞的POSCAR    ( 1 2 ) (15/1296) wenxuan5788 2009-02-08 2009-10-05 09:29:12 by zdd2008
[MS] 【求助】10金币求建模的几个问题 (5/324) yyx19840628 2009-09-17 2009-10-05 08:08:47 by yyx19840628
[MS] 【求助】求助 (2/128) snorin 2009-10-04 2009-10-05 00:41:56 by guifan
[MS] 【求助】运行的时候出现的sevrver console的time-out 5 (1/105) yu_hai_1978jj 2009-10-04 2009-10-04 20:10:26 by chenzhao6239
[MS] 【求助】用discover里的力场出现的错误 (1/118) shaopeng6539 2009-10-03 2009-10-04 16:38:40 by qasd
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