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[热点] 酰胺脱乙酰基 chibby 2026-02-09 刚刚
[MS] [已完结]关于MS运行时CPU的分配使用 (4/763) 尚武精神 2011-10-13 2011-10-19 23:18:17 by oldr
[MS] 【求助】怎么样把XRD实验数据导入Material Stutio,用Reflex进行指标化? (4/1558) grant2008 2010-10-20 2011-10-19 19:47:01 by 杨寻
[MS] 关于如何利用MS构建mofs模型的问题 (1/519) farfaraway08 2011-10-19 2011-10-19 18:24:51 by hjlyyc
[MS] [已完结][关贴]求助:Mulliken布局计算和分析 (1/1318) lavinia 2011-10-19 2011-10-19 16:03:35 by lindlar0078
[MS] [已完结]Mulliken布局计算 (0/921) wyq_616B 2011-10-19 2011-10-19 15:44:31 by wyq_616B
[MS] [已完结]castep在linux的运行问题    ( 1 2 ) (11/1790) lixiao85 2011-07-16 2011-10-19 14:51:44 by w511476842
[MS] [已完结][关贴]MS的Reflex如何计算得出一个半导体部分原子被取代后的XRD, (0/365) guolianshun 2011-10-19 2011-10-19 10:40:05 by guolianshun
[MS] Ms能作中子衍射吗? (0/149) yinketao 2011-10-19 2011-10-19 09:52:42 by yinketao
[MS] [已完结]关于能量计算问题 (0/470) chaizhm 2011-10-19 2011-10-19 08:56:40 by chaizhm
[MS] [已完结]请看这个电子密度图是如何做的呀? (6/3277) guolianshun 2011-10-17 2011-10-18 23:02:26 by acridine
[MS] [已完结]Linux下castep优化结果在windows下更新需要哪些文件 (2/378) 墨客 2011-10-17 2011-10-18 21:04:48 by 墨客
[MS] 表面吸附的英文期刊 (12/2039) fangyuan5687 2011-10-15 2011-10-18 20:56:45 by redskywei
[MS] [已完结]请教和载体具有同样周期性的overlayer怎么建模 (2/357) lgxyz 2011-10-12 2011-10-18 14:45:42 by gougou531
[MS] [已完结]石墨稀储气量是如何计算出来的? (4/535) 李佳佳佳 2011-10-17 2011-10-18 14:43:15 by 李佳佳佳
[MS] [已完结]求助Ni3B的晶体结构…… (4/1525) asaruda 2011-10-17 2011-10-18 14:23:56 by asaruda
[MS] [已完结]MS5.0 如何输出图像 ,就是输出jpg.文件 (3/642) pudding93 2011-10-17 2011-10-18 13:49:45 by pudding93
[MS] [已完结]如何用DMOL算出体系的HOMO-1和LUMO+1轨道的isosurface (2/1301) 秋猫 2011-10-17 2011-10-18 13:04:00 by xujc1983
[MS] [已完结]如何卸载ms (1/312) fyh987 2011-10-17 2011-10-18 11:52:14 by yindeqiang
[MS] [已完结]采用Gibbs程序算的热力学结果和别人的对不上 (4/1294) w2056275 2011-09-15 2011-10-18 10:53:31 by souledge
[MS] [已完结]请问CASTEP计算失败的原因,是自洽迭代后没有达到基态能量 (0/689) czgchd 2011-10-18 2011-10-18 09:05:45 by czgchd
[MS] [已完结][关贴]如何计算CO2的诱导偶极矩 (1/1646) wangtingyun 2011-06-13 2011-10-17 21:04:02 by wangtingyun
[MS] [已完结]PBE PW91 (2/1004) Andyzd 2011-10-17 2011-10-17 20:08:55 by YUN杰2070
[MS] 超晶胞 原胞 的问题 (4/2534) wenj674 2011-10-16 2011-10-17 19:50:08 by wangyongyong
[MS] [已完结]结构优化SCF不能收敛 (0/1203) bingxing 2011-10-17 2011-10-17 13:19:09 by bingxing
[MS] [已完结]计算的弹性常数为负数是怎么回事 (3/1513) w2056275 2011-10-17 2011-10-17 09:20:09 by w2056275
[MS] [已完结]Ta2O5超胞高温下淬火得到其无定型态,为什么这时用castep计算其性质时总失败 (1/300) wjf891114 2011-10-16 2011-10-16 23:16:07 by wjf891114
[MS] [已完结]CASTEP计算中SCF设置 (2/1508) sss3012 2011-10-15 2011-10-16 16:26:01 by zdsk
[MS] [已完结]MS中XSD结构文件style显示异常 (4/1017) zhxbaig 2011-10-16 2011-10-16 15:35:15 by zhxbaig
[MS] [已完结]如何做出和分析电荷密度 (2/1200) handanfxp 2011-09-16 2011-10-16 15:12:32 by honeyiclover
[MS] [专家] [已完结]orbital 里面的能带数量是由什么决定的?能调吗? (5/706) dxcharlary 2011-10-15 2011-10-16 13:52:43 by dxcharlary
[MS] [已完结]Origin8.0 做电荷密度图?急急急! (0/502) ling0ling 2011-10-15 2011-10-15 19:33:28 by ling0ling
[MS] 【求助】Dmol3 单分子红外光谱计算出错 (3/1083) guohui_Hao 2010-12-10 2011-10-15 16:37:44 by sdsdlgh
[MS] [已完结]MS角度测量 (2/752) gyldmy 2011-10-14 2011-10-14 21:48:46 by gyldmy
[MS] [已完结]几何优化~ (4/359) haozi5959 2011-10-14 2011-10-14 21:25:26 by 444239852
[MS] [已完结]声子谱分析 (0/456) txf10 2011-10-14 2011-10-14 16:19:41 by txf10
[MS] [已完结]求助MS数据分析    ( 1 2 3 ) (20/1345) NUPT 2011-09-19 2011-10-14 16:08:58 by jiewei
[MS] [已完结]如何用MS计算磁性?能够详细一些最好。 (2/385) mengchouchou 2011-10-13 2011-10-14 11:07:48 by mengchouchou
[MS] [已完结]比热系数指的是什么? (0/2675) xiaopowan 2011-10-14 2011-10-14 10:50:00 by xiaopowan
[MS] [已完结]meterials studio 5.5在计算时或计算后点击某一计算结果总出现应用程序错误对话框 (1/371) 凌爱波 2011-10-13 2011-10-14 09:27:55 by sunye
[MS] [已完结]由castep建立MD的势函数 (3/1306) susie8642 2011-04-24 2011-10-14 09:18:33 by czgchd
[MS] [已完结]请教六方晶系的纳米线怎么建模? (1/500) xiongxiong5712 2011-10-11 2011-10-14 08:57:41 by 李佳佳佳
[MS] [已完结]优化前后.xsd没有变化 (2/546) 墨客 2011-10-11 2011-10-14 00:32:43 by 墨客
[MS] [已完结]求助CuFe复合氧化物的光学性质如何分析 (8/926) billly6 2011-09-28 2011-10-13 18:24:04 by 444239852
[MS] [已完结]在ms里面如何将晶体结构变成非晶结构 (0/915) fyh987 2011-10-13 2011-10-13 15:15:50 by fyh987
[MS] 研究金属铁的能带和态密度有什么意义吗 (1/1009) 亮剑飞鹰 2011-10-13 2011-10-13 10:44:40 by nright
[MS] [已完结][关贴]MS计算出的铁掺杂氧化物,有一点疑问,请看看。 (0/312) guolianshun 2011-10-13 2011-10-13 09:26:11 by guolianshun
[MS] [已完结]windows版的MS 5.5 可以在双路服务器上并行吗? (4/556) vallen 2011-10-10 2011-10-13 08:52:03 by huweny87
[MS] [已完结]模型计算完后,如何调整掺杂原子在超胞中位置 (5/2651) ujqt007 2011-10-12 2011-10-12 20:50:58 by acridine
[MS] [已完结]正则赝势超软赝势优化结果结构不一样, 怎么办? (3/857) babaleo 2011-10-12 2011-10-12 18:44:48 by iamikaruk
[MS] [已完结]MS与VASP的计算结果不一致 (1/495) gzqdyouxia 2011-09-17 2011-10-12 14:29:28 by cenwanglai
[MS] 【求助】石墨烯能带结构 (7/1831) 水座 2010-08-03 2011-10-12 11:16:29 by liuhuimeiwoo
[MS] [已完结][关贴]计算过程中如何设置带电荷和磁性的金属掺杂氧化物? (0/373) guolianshun 2011-10-12 2011-10-12 09:47:11 by guolianshun
[MS] [已完结]如何在linux 下操作ms (8/1002) fyh987 2011-10-10 2011-10-11 20:43:35 by fyh987
[MS] [已完结]在CASTEP中添加原子的位置为八面体间隙 如何处理a,b,c 的值 (0/811) czgchd 2011-10-11 2011-10-11 16:47:31 by czgchd
[MS] [已完结]请教非立方晶系的纳米线怎么建模? (1/320) xiongxiong5712 2011-10-11 2011-10-11 12:03:32 by xiongxiong5712
[MS] 【求助成功】求 MSlinux版 (3/406) yh3166 2011-03-31 2011-10-11 09:06:21 by w511476842
[MS] [已完结]MD结果的分析 (3/484) gyldmy 2011-10-04 2011-10-11 00:04:33 by 倚天舰
[MS] [已完结]dmol3花能带图的一个问题 (0/460) wangdading 2011-10-10 2011-10-10 23:15:56 by wangdading
[MS] [已完结]截止能 洽精度 (2/332) Andyzd 2011-10-10 2011-10-10 22:29:15 by uuv2010
[MS] [已完结]TaO的非晶在MS中怎么建,请各位大侠帮帮忙啊 (1/284) wjf891114 2011-10-10 2011-10-10 20:34:40 by wjf891114
[MS] [已完结]在dmol中如何获取配分函数Partition function (0/291) grape_0805 2011-10-10 2011-10-10 17:41:42 by grape_0805
[MS] [已完结]如何导出Ms里面的图形 (2/726) fyh987 2011-10-10 2011-10-10 15:02:54 by 444239852
[MS] [已完结]Mulliken charge (2/874) zhouyj999 2011-10-09 2011-10-10 11:21:53 by iamikaruk
[MS] [已完结]在Linux下安装MS5.0出错 (4/803) voleyes 2011-10-06 2011-10-09 22:58:27 by avast2009
[MS] [已完结]高分子模拟密度遇到的问题 急求帮助 (3/410) champion939 2011-10-06 2011-10-09 21:08:50 by 贺仪
[MS] [已完结]计算出的IR谱如何分析出具体的震动模式    ( 1 2 ) (10/1607) dongdong3881 2011-06-22 2011-10-09 15:12:12 by x163_yu
[MS] [已完结]关于掺杂的问题 (2/437) 444239852 2011-10-09 2011-10-09 15:09:24 by avast2009
[MS] [已完结]求助 (3/456) jinzhulin000 2011-10-08 2011-10-08 17:00:41 by uuv2010
[MS] [已完结]优化出错了,请大家帮忙 (6/607) mutong2011 2011-10-05 2011-10-07 22:23:26 by youzhizhe
[MS] [已完结]算吸附,吸附分子有原子放到了盒子之外对结果影响大吗? (评阅+15) (2/427) jdy19862002 2011-08-17 2011-10-07 21:51:22 by goldenfisher
[MS] [已完结]MS建立晶体结构 (8/1933) wuhen997 2011-10-07 2011-10-07 20:38:52 by fzx2008
[MS] [已完结]关于施加应力的计算 (2/1024) mengfc 2011-09-26 2011-10-07 16:51:40 by calos818
[MS] 【求助】请教发物理评论B期刊有关光学性质的计算的文献构思问题    ( 1 2 ) (14/3352) 绿世奇球 2010-09-25 2011-10-07 14:31:59 by vdmzsfj
[MS] [已完结]ms中构建原子 (0/455) fyh987 2011-10-06 2011-10-06 19:59:56 by fyh987
[MS] [已完结]请教CASTEP版权问题-中英合作,中方未购买    ( 1 2 ) (14/2488) 04nylxb 2011-09-27 2011-10-06 01:16:01 by lbambool
[MS] 【求助】请问高手ZnO中O的化学势怎么算?计算掺杂后形成能用 (2/552) tdne1984 2011-01-12 2011-10-05 21:28:16 by souledge
[MS] MS Redhat enterprise Linux server 6.0 安装出错 (6/1392) wenj674 2011-10-04 2011-10-05 19:13:50 by wenj674
[MS] [已完结]ms 4.4 运行出错 (0/250) zhangxn06 2011-10-05 2011-10-05 17:55:43 by zhangxn06
[MS] [已完结]MS5.5的安装问题 (5/1536) 尚武精神 2011-09-28 2011-10-05 16:29:06 by cosfrist
[MS] [已完结]关于MS 设置的一些问题 (4/474) 飘在空中的雨 2011-10-03 2011-10-05 13:33:28 by mutong2011
[MS] [已完结]JPCC修回意见中提到关于能级的问题,不甚理解,求指点!!!    ( 1 2 ) (13/1693) lwg020810 2011-09-29 2011-10-05 10:40:27 by lwg020810
[MS] [已完结]两个原子占据时的Geometry Optimizat (2/281) c_and_c 2011-10-04 2011-10-04 22:27:06 by c_and_c
[MS] [已完结]用什么方法确定四元合金原子排列结构 (7/1547) zpl1986 2011-10-02 2011-10-04 20:12:12 by souledge
[MS] [已完结]求助:ZnO布里渊区路径设置 (0/629) ping888 2011-10-04 2011-10-04 19:11:23 by ping888
[MS] MS 5.0 晶体建模时出现内存问题吗,请大侠帮忙? (0/186) seawolf2100 2011-10-04 2011-10-04 17:20:08 by seawolf2100
[MS] [已完结]问一个关于CASTEP 中弱弱的问题 (0/165) 飘在空中的雨 2011-10-04 2011-10-04 11:23:10 by 飘在空中的雨
[MS] [已完结]ms优化时cpu占用率不稳定问题 (3/1057) avast2009 2011-10-02 2011-10-03 17:52:39 by avast2009
[MS] [已完结]铈酸镧La2Ce2O7的空间群,乌科夫坐标,禁带宽度,晶格常数 (3/949) 8606516000 2011-10-02 2011-10-03 17:08:50 by souledge
[MS] [已完结]大家围观一下这个图    ( 1 2 ) (13/805) 飘在空中的雨 2011-09-30 2011-10-02 20:30:34 by souledge
[MS] [已完结]固定层数后优化不收敛    ( 1 2 ) (10/1304) 中秋节园园 2011-09-27 2011-10-02 09:56:35 by nwx_ky
[MS] [已完结]DMOL3模块动力学计算分子吸附 (5/1887) zhuzisummer 2011-09-07 2011-10-01 10:20:33 by 平和必取
[MS] MS在i5或i7机子上的安装和运行 (8/1073) bluce 2011-09-28 2011-10-01 05:31:44 by bluce
[MS] [已完结]ZnO的高对称点坐标 (4/1187) ping888 2011-09-28 2011-09-30 20:24:31 by ping888
[MS] [已完结]ms castep 中是否考虑了激子效应 (0/394) longwangye 2011-09-30 2011-09-30 19:45:55 by longwangye
[MS] 【求助】请教分子动力学模拟 (8/4731) liuxianlv 2010-06-02 2011-09-30 18:22:43 by 倚天舰
[MS] [已完结]Dmol3中加电场的问题,请教 (2/792) wangth08 2011-09-30 2011-09-30 17:06:36 by hh19850402
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