24小时热门版块排行榜    

管理团队 (金币库 94062.1 充值 )

主管区长:
月只蓝小红豆
主管版主:
漫天飘雪蛋蛋小童鞋franch
11%最高出勤率

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 2024 - Atropisomerism in Asymmetric Organic Synthesis asymmsyn 2026-02-09 刚刚
[MS] 关于CASTEP里面的一个选项不明白 (7/1671) hwceng0816 2012-02-24 2012-02-26 14:31:00 by Feynmanux
[MS] [已完结]Materials studio5.5里的OBS是啥意思??急求!!非常感谢!! (4/1724) hwf70513012 2012-02-24 2012-02-25 19:27:30 by hwf70513012
[MS] [已完结]如何在纳米线表面用H原子饱和悬挂键 (5/1489) xiongxiong5712 2011-10-02 2012-02-25 12:53:10 by fyh987
[MS] 第一性原理需要看的书籍 (6/2391) hwceng0816 2012-02-23 2012-02-25 12:26:10 by flyingphoenix
[MS] 关于利用MS计算线膨胀系数 (6/2176) zergstormor 2012-02-22 2012-02-25 09:02:07 by future_wl
[MS] [已完结]在用CASTEP模块时计算时,点run后出现Job failed during launch process... (2/1342) kingway007 2012-02-23 2012-02-24 22:06:01 by kingway007
[MS] 镁晶胞的一点疑问 (9/1796) hwceng0816 2012-02-15 2012-02-24 13:53:11 by 2009me
[MS] CASTEP做计算须要的配置,全新贴希望讨论下去。。。。 (1/518) hwceng0816 2012-02-24 2012-02-24 13:47:51 by weixuesong
[MS] [已完结][关贴]如何从二次差分电荷图看出成键特性呢 万分感激啊 (2/464) longwangye 2012-02-23 2012-02-24 13:30:28 by longwangye
[MS] [已完结]求助MS怎样控制掺杂浓度?    ( 1 2 ) (11/1760) hang_yang 2011-10-11 2012-02-24 10:43:10 by liu_gang
[MS] [已完结]ICSD库里查到化学式中有小数,如何建立模型? (2/1008) kuner 2012-02-23 2012-02-24 10:18:24 by shmilylxc
[MS] [已完结]求助钒酸锂建模的问题 (5/965) 魏海玲2011 2012-02-23 2012-02-24 08:59:34 by 魏海玲2011
[MS] 镁合金相关研究 (1/513) hwceng0816 2012-02-23 2012-02-23 21:57:16 by sunboyccc
[MS] [已完结]求解:MS中的Display style中只有Atom和Lattice两个选项卡,其他的都没有 (1/861) 同学小新 2012-02-23 2012-02-23 21:43:10 by sunboyccc
[MS] CASTEP计算出现你们经常出现的问题了,过来瞧瞧。    ( 1 2 ) (11/2215) hwceng0816 2012-02-20 2012-02-23 19:15:25 by hwceng0816
[MS] 原子百分比计算,涉及写论文 (4/1928) hwceng0816 2012-02-20 2012-02-23 16:34:31 by hwceng0816
[MS] [已完结]大家都来提点建议 (5/458) convenient 2012-02-23 2012-02-23 15:50:10 by convenient
[MS] [已完结]模型搭建问题 (1/342) 2235803 2012-02-23 2012-02-23 10:25:32 by huangll99
[MS] [已完结]六方晶系弹性常数C44出现负值,如何分析? (1/1558) meimeidyh 2012-02-16 2012-02-23 09:15:42 by future_wl
[MS] [已完结]discover可否计算金属单质及合金的高温高压相变 (0/255) qx0813 2012-02-23 2012-02-23 08:50:26 by qx0813
[MS] [已完结]任务无法提交服务器计算 (2/396) jolly1987 2012-02-21 2012-02-23 08:35:49 by jolly1987
[MS] [已完结]请帮忙看一下MS构建的γ-Al2O3 (8/1723) wanghui381 2011-06-03 2012-02-23 07:21:16 by jelly62
[MS] [已完结]Materials Studio 与 gaussian 怎样关联 (0/1290) suntao1982 2012-02-22 2012-02-22 20:24:17 by suntao1982
[MS] [已完结]CASTEP 如何设置分子动力学的计算 (3/1813) 李佳佳佳 2012-01-05 2012-02-22 17:12:16 by qx0813
[MS] [已完结]DIiscover模块计算单胞和超晶胞从室温升至500度的晶格常数变化不一样?为什么? (2/777) lunar212 2012-02-21 2012-02-22 11:02:39 by zergstormor
[MS] [已完结]求助如何查看优化后晶体的总能量 (3/1693) leon11012 2012-02-21 2012-02-22 10:30:22 by shmilylxc
[MS] 【求助】vasp 程序安装问题    ( 1 2 ) (15/1888) leihongwen 2010-09-02 2012-02-22 09:29:01 by emilyoyang
[MS] [已完结]温度与体弹模量之间的关系,最好有公式 (6/1279) 牛皮糖耶 2012-02-20 2012-02-22 08:46:22 by cs123292
[MS] MS计算态密度和能带结构 (2/600) mengchouchou 2012-02-20 2012-02-21 19:03:50 by mengchouchou
[MS] [已完结]怎样在DMol3 结构优化中使构型基本保持不变? (7/2140) lzn_t 2012-02-20 2012-02-21 13:09:01 by yadong80
[MS] [已完结]Zn 吸附 在TiO2表面 (0/267) yoyo103108 2012-02-21 2012-02-21 09:28:36 by yoyo103108
[MS] [已完结]castep中怎么查看K点数目和能带数 (8/3918) The-One 2012-02-17 2012-02-20 23:24:45 by yadong80
[MS] 安装出现问题了 licensing    ( 1 2 ) (14/1651) hwceng0816 2012-02-19 2012-02-20 18:40:37 by leon11012
[MS] MS计算出现网关问题 (0/298) hwceng0816 2012-02-20 2012-02-20 12:13:59 by hwceng0816
[MS] 实验中能测的晶格常数吗?    ( 1 2 ) (13/1880) hwceng0816 2012-02-17 2012-02-20 09:10:58 by hwceng0816
[MS] [已完结]TbMnO3的castep计算异常 (0/209) hapik 2012-02-19 2012-02-19 16:25:08 by hapik
[MS] [已完结]求助关于FeS2的第一性原理计算的文章 (0/271) leon11012 2012-02-19 2012-02-19 15:10:09 by leon11012
[MS] 镁晶胞相关信息 (0/599) hwceng0816 2012-02-18 2012-02-18 19:27:51 by hwceng0816
[MS] MS里面的一个疑惑 (1/311) hwceng0816 2012-02-18 2012-02-18 16:23:20 by hwceng0816
[MS] [已完结]请问MS经过计算之后能知道一个键的键能吗? (3/2397) freshman8185 2012-02-17 2012-02-18 10:33:26 by shmilylxc
[MS] [已完结]求助ZnSnO3的晶体结构参数 (1/496) lilingdong 2012-02-17 2012-02-17 23:30:38 by tequila2008
[MS] [已完结]【CH 自旋极化】有谁知道如何设置参数? (2/336) slz0811 2012-02-17 2012-02-17 21:04:48 by slz0811
[MS] [已完结]ZnO原胞原子数 (8/2510) neutron6809 2011-12-12 2012-02-17 17:22:41 by tequila2008
[MS] [专家] [已完结]MS的gateway有什么方法分用户运行吗? (4/1196) dxcharlary 2011-07-11 2012-02-17 12:41:51 by 乐石||
[MS] 用特定的面去切割CASTEP建立的晶体 (5/876) hwceng0816 2012-02-14 2012-02-17 11:42:51 by youzhizhe
[MS] 第一性原理拉伸实验 (0/319) hwceng0816 2012-02-16 2012-02-16 20:57:12 by hwceng0816
[MS] [已完结]新手初到,向各位高手求教!!! (2/650) 尚武精神 2012-02-16 2012-02-16 14:16:41 by 尚武精神
[MS] [已完结]请教一个简单的问题,请大家谅解! (0/188) wchen 2012-02-15 2012-02-15 11:11:43 by wchen
[MS] [已完结]如何分析下图中的PDOS (4/2330) 李佳佳佳 2012-02-13 2012-02-14 21:04:59 by 李佳佳佳
[MS] [已完结]MS 优化初始体积和优化出来的体积是否需要相等才可以? (2/353) dreamboat 2011-05-10 2012-02-14 19:19:37 by 赵红霞
[MS] 生成焓和形成能解析 (0/2666) hwceng0816 2012-02-11 2012-02-11 22:20:57 by hwceng0816
[MS] [已完结]帮忙翻译第一性原理的文献 (3/1156) hwceng0816 2012-02-09 2012-02-10 09:59:16 by hwceng0816
[MS] 关于CASTEP (9/690) hwceng0816 2012-01-20 2012-02-10 09:58:50 by hwceng0816
[MS] [已完结]关于建模中遇到的问题? (4/862) 444239852 2011-11-03 2012-02-09 19:50:38 by 森然晶
[MS] [已完结]如何用Discover 计算扩散系数? (评阅+1) (2/466) fljfly 2011-07-01 2012-02-09 16:37:31 by fljfly
[MS] 计算镁的总能 形成能 (评阅-1) (7/912) hwceng0816 2012-01-30 2012-02-09 12:53:01 by hwceng0816
[MS] [已完结]Fe3O4第一性原理计算磁性参数设置 (0/990) mumuyh 2012-02-09 2012-02-09 10:06:34 by mumuyh
[MS] SOS:导入x射线数据 (1/241) gudutu19 2012-02-02 2012-02-09 01:04:49 by wulindong
[MS] CASTEP建模有关 来看看! (5/1404) hwceng0816 2012-01-16 2012-02-08 22:33:46 by hwceng0816
[MS] 有没有用LDA计算电子结构,然后用GGA计算光学性质的呀? (4/1007) lindlar0078 2012-02-05 2012-02-08 21:05:48 by lindlar0078
[MS] 密度泛函理论问题 (3/1246) hwceng0816 2012-02-06 2012-02-08 10:09:48 by uuv2010
[MS] [已完结]opensuse 能否安装Materials-studio 5.5 ? (7/2343) suntao1982 2012-02-07 2012-02-08 00:06:25 by suntao1982
[MS] 几何优化问题 (1/384) hwceng0816 2012-02-01 2012-02-07 15:53:00 by fengyu9519
[MS] [已完结]电子密度图上获得的信息 (0/234) freshman8185 2012-02-07 2012-02-07 13:07:53 by freshman8185
[MS] [已完结]ms如何构建非晶In-Ga-Zn-O    ( 1 2 ) (12/1622) fyh987 2011-09-28 2012-02-06 23:41:28 by tequila2008
[MS] 使用MS5.5的一些体会 (1/362) ljyang320 2012-02-04 2012-02-06 23:12:04 by wfbgc
[MS] [已完结]如何在三维模型中找到与population中对应的各个原子的原子编号? (2/163) zdsk 2012-01-20 2012-02-06 15:12:44 by zdsk
[MS] [已完结]总能量和形成能的区别 (4/1452) zhanglx8632 2012-02-04 2012-02-06 12:41:23 by yuwenxianglong
[MS] [已完结]MS5.5 CASTEP 计算弹性常数时出现以下错误,请问怎么回事? (1/600) weixuesong 2012-02-04 2012-02-06 10:43:58 by ylli
[MS] CASTEP计算常见问题 (2/373) hwceng0816 2012-02-04 2012-02-05 21:23:55 by lbambool
[MS] CASTEP计算出现问题 (0/238) hwceng0816 2012-02-04 2012-02-04 13:00:53 by hwceng0816
[MS] 【求助】计算界面,总不收敛,请教如何处理? (5/1398) wangtower 2011-03-31 2012-02-03 14:02:38 by dujunhui
[MS] [已完结]从cif文件直接导入的晶体可以用于直接计算么 (4/2612) tequila2008 2012-02-01 2012-02-02 13:15:22 by identation
[MS] 结构优化的错误 (5/821) chenke1998 2012-01-31 2012-02-02 12:25:06 by flyingphoenix
[MS] [已完结]计算出错,求解。。。 (4/1271) zhaoling1985 2012-01-31 2012-02-01 20:10:09 by souledge
[MS] 第一性原理计算入门操作 (5/2765) hwceng0816 2012-02-01 2012-02-01 19:42:10 by uuv2010
[MS] [关贴]元素核外电子自旋情况 (0/283) hwceng0816 2012-02-01 2012-02-01 19:01:55 by hwceng0816
[MS] [已完结]在MS中计算弹性系数出错 (1/564) weixuesong 2012-02-01 2012-02-01 16:40:56 by ljyang320
[MS] [已完结]MS模拟的能带范围调整 (1/298) ghostsyd 2012-02-01 2012-02-01 10:04:01 by lbambool
[MS] 【求助】石墨稀能带结构模拟中遇到的问题 (5/1341) felcon 2010-08-07 2012-02-01 06:32:55 by ghostsyd
[MS] 【求助】MS计算中能带 参数设置    ( 1 2 ) (11/2263) zhanglx8632 2011-03-22 2012-02-01 06:28:59 by ghostsyd
[MS] [已完结]Material Studio 4.4安装 license有问题 (6/2840) 阿龙6678 2011-07-21 2012-01-31 23:48:42 by 阿龙6678
[MS] [已完结]原子布居电荷分布 (3/2435) hwceng0816 2012-01-31 2012-01-31 22:18:02 by duyujie442
[MS] [已完结]想用MS计算化学吸附后物种的红外振动,虫子们帮忙看下可行不 (5/1453) athinpig 2012-01-20 2012-01-31 15:52:28 by xujc1983
[MS] [已完结]求助,MS模拟单层MoS2 and WS2 (3/2041) ghostsyd 2012-01-30 2012-01-31 02:00:01 by spyan581
[MS] [已完结]用MS计算PDOS,如果原胞相同,超晶胞大一倍是不是电子态密度也大一倍?急求大神指点 (4/1481) trader 2012-01-29 2012-01-30 22:38:16 by franch
[MS] 【求助】有没有数据库可以查不同材料的禁带宽度 (7/813) sharephone 2010-06-09 2012-01-30 17:33:22 by Janson87
[MS] [已完结]求教各位如何在Cu<111>表面构造单层石墨烯模型 (4/954) tangshi141 2012-01-25 2012-01-28 12:00:04 by tangshi141
[MS] 【求助】石墨烯的MS建模 (13/5143) daybreak916 2011-04-04 2012-01-26 17:59:28 by ghostsyd
[MS] [已完结]关于石墨烯MS模拟的布里渊区路径选取 (1/3210) ghostsyd 2012-01-23 2012-01-25 05:03:32 by ghostsyd
[MS] [已完结]怎么在同一个位置输入不同的原子 (2/436) weixuesong 2012-01-21 2012-01-22 11:21:34 by wenjlu
[MS] [已完结]如何用MS进行STM图像模拟 (1/1459) zhl98 2011-06-17 2012-01-19 20:52:34 by zhl98
[MS] 能否用第一性原理方法计算复合材料的界面问题? (10/2160) yanglw23 2011-12-18 2012-01-19 16:07:48 by dxcharlary
[MS] [已完结]用第一性原理能否计算1GHz~100GHz的光学性质? (5/1132) c_friends 2012-01-17 2012-01-19 16:05:39 by dxcharlary
[MS] [已完结]Pt(100)平板模型结化后结构为什么会这样??? (3/752) liangwk12 2012-01-13 2012-01-15 22:05:25 by liangwk12
[MS] castep计算时有关bandstructure的值与scissors的关系 (8/1932) lixiao85 2011-11-28 2012-01-15 13:13:30 by guodonglin
[MS] [已完结]LDA+U,U值怎么设?    ( 1 2 ) (11/2775) zhaoling1985 2012-01-01 2012-01-15 11:39:12 by tider
[MS] 【求助】下面一段话中z=2是代表什么啊 (5/750) wzh上善若水 2010-11-27 2012-01-15 05:44:20 by kave1122
[MS] [已完结]已知晶格参数,怎么构建一个立方体出来啊 (7/1530) 量化新手 2012-01-11 2012-01-14 13:39:13 by 量化新手
[MS] [已完结]半导体价带顶和能带间隙计算?    ( 1 2 ) (10/4095) sss3012 2011-11-12 2012-01-14 11:50:22 by windowtt
相关版块跳转
查看