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[热点] filecode 布布和一二 2026-08-10 刚刚
[MS] 我想问问波失应该怎么理解？ (1/658) 一片儿陶客 2012-09-22 2012-09-22 20:03:24 by sunboyccc
[MS] [已完结]关于AlGaN/GaN的能带图分析 (2/2977) yiyu1006 2012-05-11 2012-09-22 18:00:27 by pengliusss
[MS] [已完结]超胞大小的变化会影响最终的禁带宽度结果吗 (0/841) guardian_qq 2012-09-21 2012-09-21 23:47:52 by guardian_qq
[MS] [已完结]求助，如何利用Dmol进行单分子计算，导入的分子结构是什么格式， (0/310) lilanyu 2012-09-21 2012-09-21 22:14:17 by lilanyu
[MS] 【求助】NaCl结构（111）表面能计算建模求助 (7/2733) michael1883 2010-11-18 2012-09-21 17:17:31 by yourne
[MS] 【求助】模拟扩散轨迹    ( 1 2 ) (10/1631) 学员NnOUhz 2010-09-01 2012-09-21 11:29:09 by huangshuang1
[MS] 【求助】纳米管建模 (7/1807) sdjgdu 2010-10-09 2012-09-21 06:33:35 by 707462558
[MS] [已完结]求教！关于DMol和CASTEP计算晶体和含表面的平板模型的区别 (评阅-3) (1/751) 月只蓝 2012-09-14 2012-09-20 21:19:01 by yourne
[MS] [已完结]MS5.5计算金属掺杂ZnO后不能分析各元素的态密度 (1/690) 菁菁亮 2012-09-19 2012-09-20 20:16:07 by wenzhiqin
[MS] 【求助】两个切面的γ角不同怎么调整组合成界面    ( 1 2 ) (11/2172) 8240668 2010-06-19 2012-09-20 19:57:55 by gcworm
[MS] 第一性原理从本质上解释力学的本源—讨论（1） (2/837) zjj760120 2012-04-11 2012-09-20 18:14:17 by tonglijia
[MS] [已完结]MS6.0 for Win抢先共享，本人亲测，绝对可用（115网盘下载） (7/2731) c5xiaoyi 2012-04-28 2012-09-20 17:36:37 by 搁浅蛟
[MS] [已完结]怎么用第一性原理计算肖特基势垒 (0/996) 晓阳轻轻 2012-09-19 2012-09-20 17:07:41 by 晓阳轻轻
[MS] [已完结]CASTEP氧空位带电荷问题如何设置 (2/1859) P201102016 2012-09-20 2012-09-20 16:45:15 by sunyang1988
[MS] [已完结]Gateway的疑惑 (4/996) fengyu9519 2012-09-18 2012-09-20 16:12:24 by lvyan0309
[MS] [已完结]我用Dmol3算能量，根据公式计算出的表面能，有正有负，负值是不稳定面么？ (6/3053) coffey7835 2012-04-30 2012-09-20 15:47:28 by aprilaj
[MS] 做第一性原理计算的虫友你们毕业都去了哪里？    ( 1 2 3 ) (28/2722) hwceng0816 2012-07-12 2012-09-20 13:04:32 by anlen0615
[MS] MS创建晶胞 (2/699) cheapskate 2012-09-20 2012-09-20 12:40:13 by xd星期八
[MS] [已完结]求助，这是什么问题，搞不清楚了，好久没弄好，来求助高人了 (5/1040) wangjing8330 2011-12-16 2012-09-20 11:44:32 by nwpuxu
[MS] [已完结][关贴]关于Gd元素的MS模拟几何优化的问题 (0/594) qqabmqqabm 2012-09-20 2012-09-20 11:39:17 by qqabmqqabm
[MS] [已完结][关贴]MS中gulp计算声子谱出错 (0/1055) hy218hy218 2012-09-20 2012-09-20 10:52:55 by hy218hy218
[MS] [已完结]求助Materials-studio软件 (3/499) 飘梦飞 2012-09-19 2012-09-20 10:01:27 by 飘梦飞
[MS] [已完结]焙烧后的水滑石--XRD图分析 (3/1788) good---apple 2012-09-18 2012-09-20 09:59:23 by yangyuqi
[MS] [已完结]请问投中国化学，彩图是多少钱? (2/374) lifeycc 2012-08-08 2012-09-19 22:02:51 by lifeycc
[MS] [已完结]用实验验证扩散系数 (0/288) huangshuang1 2012-09-19 2012-09-19 20:21:01 by huangshuang1
[MS] [已完结]怎么用第一性原理计算的结果计算欧姆接触的肖特基势垒 (5/2133) 晓阳轻轻 2012-09-18 2012-09-19 08:49:53 by 晓阳轻轻
[MS] 模型的显示 (0/179) shmilylxc 2012-09-18 2012-09-18 16:38:56 by shmilylxc
[MS] license (2/462) shmilylxc 2012-09-18 2012-09-18 14:51:45 by shmilylxc
[MS] 【求助】分析HOMO LUMO    ( 1 2 ) (10/2622) wanfei 2010-05-31 2012-09-18 13:00:12 by jianying8996
[MS] [已完结]ms采用网关提交任务 (0/409) zhouxing1002 2012-09-18 2012-09-18 10:00:11 by zhouxing1002
[MS] [已完结]求教：势场输出 (0/261) tyabc 2012-09-18 2012-09-18 04:20:22 by tyabc
[MS] [已完结]AC模拟盒中有水和聚合物，水用COMPASS力场，聚合物用PCFF力场,这样有问题么 (2/1052) huangshuang1 2012-09-13 2012-09-17 21:34:46 by huangshuang1
[MS] [已完结]大家来帮忙看下这个态密度图 (4/1517) jiaopeng8253 2012-03-14 2012-09-17 18:24:03 by 贺仪
[MS] [已完结]求助 怎么回复审稿意见 (0/438) jiaopeng8253 2012-09-11 2012-09-17 18:23:52 by jiaopeng8253
[MS] [已完结]γ-MnO2中Mn-O键平均键长 (0/471) 催化达人 2012-09-17 2012-09-17 17:20:07 by 催化达人
[MS] [已完结]MS布里渊区 (3/1741) shmilylxc 2012-09-17 2012-09-17 16:56:56 by huangll99
[MS] [已完结]求分享用materials-studio做热力学性质计算的例子 (1/2019) kong我就是我 2012-09-15 2012-09-17 13:03:35 by xjliu
[MS] [已完结]建模成功若将其转化为初晶胞后出现的原子数比例不对的现象 (9/1118) xy8711488 2012-09-11 2012-09-17 10:48:05 by xy8711488
[MS] [已完结]请问怎么又CASTEP计算金属团簇模型 (1/749) wzffighting 2012-09-15 2012-09-17 10:18:30 by missu001
[MS] [已完结]求助 怎么回复审稿意见 (0/382) jiaopeng8253 2012-09-17 2012-09-17 09:47:23 by jiaopeng8253
[MS] [已完结]如何获得一系列小分子的拓扑参数，用于QSAR (3/791) Dream-weaver 2012-09-15 2012-09-17 09:45:52 by Dream-weaver
[MS] [已完结]如何去掉由MS搭建晶胞中的一个原子    ( 1 2 ) (12/4633) chengliping 2011-11-03 2012-09-17 07:54:45 by qqfd
[MS] 【求助】50金币求助建模 (10/1234) snowhitsnow 2011-03-19 2012-09-16 16:12:11 by luokang
[MS] [已完结]GIBBS程序可以做热力学计算吗？ (4/1126) hwceng0816 2012-08-11 2012-09-16 13:35:21 by kervinzhao
[MS] [已完结]各位大侠 求助 急啊 (0/331) alyssadong 2012-09-16 2012-09-16 09:50:34 by alyssadong
[MS] [已完结]十金币求Te单质的原子坐标 (2/324) snowhitsnow 2012-09-14 2012-09-15 09:24:58 by anlen0615
[MS] [已完结]求解discovery studio同源建模生成模型那步出错 (0/891) ljy1986 2012-09-14 2012-09-14 23:35:26 by ljy1986
[MS] [已完结]CASTEP建模设置问题 (2/520) P201102016 2012-09-13 2012-09-14 10:48:57 by P201102016
[MS] [已完结]castep运行后几天都无反应 (5/972) liufeila 2012-09-11 2012-09-14 09:12:28 by awmc2008
[MS] [已完结]引入额外氧空位使能级劈裂？ (0/342) 墨客 2012-09-13 2012-09-13 17:16:03 by 墨客
[MS] [已完结]求教用castep计算石墨烯和碳纳米管光学性质的参数设置 (0/662) maomao-666 2012-09-13 2012-09-13 17:00:01 by maomao-666
[MS] [已完结]审稿意见回复求助？ (5/963) 风萧萧栖 2012-09-12 2012-09-13 11:04:44 by casjxm
[MS] [已完结]linux ms gateway 问题 ps ：window下ms能建18888gateway (7/1487) w511476842 2011-10-28 2012-09-12 21:02:58 by xx4751
[MS] 【求助】问问问问:团簇单独用dmol3计算，和放在晶格里面算有什么区别啊？？？ (7/1459) fanny0007 2010-04-02 2012-09-12 20:40:00 by wcj668899
[MS] [已完结]dmol算400个硅原子是不是太多了    ( 1 2 ) (10/1103) Joannaouc 2012-09-11 2012-09-12 19:42:32 by 漂泊四方
[MS] [已完结]windows7系统64位，装了MS5.5里面的图标都一样，怎么办？急 (5/889) wangth08 2012-09-10 2012-09-12 17:15:46 by wuguohao111
[MS] [已完结]AC 形成氢键 (3/578) huangshuang1 2012-09-12 2012-09-12 16:42:32 by huangshuang1
[MS] [已完结]MS 结果求助 见图 (1/252) cg陈 2012-09-12 2012-09-12 14:50:29 by cg陈
[MS] [已完结]关于弹性常数例如C11，C12的初始准确描述的课本 (5/3466) liuxiaomai 2012-09-07 2012-09-12 10:44:46 by xiariyumi
[MS] 调节castep对于晶体结构总能的计算 (6/2294) xcpu 2012-07-29 2012-09-11 16:58:31 by xcpu
[MS] [已完结][关贴]Dmol 算出福井函数后，怎么画出这种等高线图啊？？？ (1/1330) gkf高 2012-05-28 2012-09-11 14:22:55 by gkf高
[MS] 【求助】如何在原子间加上化学键    ( 1 2 ) (10/4078) zhaojy008 2010-11-07 2012-09-11 11:26:04 by huangshuang1
[MS] [已完结]MS求助 切面后如何建立单元胞 (6/1277) cg陈 2012-09-10 2012-09-11 11:13:40 by cg陈
[MS] [已完结]到底在计算还是没算？ (7/990) wunianleng 2012-09-05 2012-09-11 09:49:51 by wunianleng
[MS] [已完结]二氧化钛纳米管的构建 (0/432) 707462558 2012-09-11 2012-09-11 09:49:11 by 707462558
[MS] [已完结]如何找出LO TO劈裂 (1/1071) future_wl 2012-06-29 2012-09-11 07:21:26 by future_wl
[MS] [已完结]不能和QQ同时用 (5/813) 困龙 2012-08-29 2012-09-10 21:05:07 by 困龙
[MS] [已完结]DPD模拟帮助文件中的例子出错 (3/574) chenzihan 2012-09-07 2012-09-10 19:23:58 by nan1026feng
[MS] [已完结]如何计算铁磁能量和反铁磁能量 (1/1206) mengchouchou 2012-09-10 2012-09-10 16:20:42 by vasp001
[MS] 【求助】castep并行计算问题    ( 1 2 ) (15/2925) w2056275 2009-04-15 2012-09-10 05:17:34 by 514709618
[MS] [已完结]请教CASTEP中上/下自旋能带结构图分别对应alpha和beta的能带结构图？ (1/1612) 绿世奇球 2012-09-09 2012-09-10 00:12:59 by souledge
[MS] [已完结]material studio 安装问题    ( 1 2 ) (14/1241) liutaifeng 2012-09-07 2012-09-09 21:06:36 by 绿世奇球
[MS] [已完结]ms中的一个问题    ( 1 2 ) (13/1665) liangjun44 2012-05-28 2012-09-09 20:09:35 by liangjun44
[MS] MS Castep结构优化后，+U计算性质收敛慢 (3/2146) xcpu 2012-09-07 2012-09-09 16:14:27 by lics19870210
[MS] [已完结]建模求助 (2/395) fengshiquan 2012-09-08 2012-09-09 11:17:04 by shulezhang
[MS] [已完结]弹性常数计算和文献相差很大    ( 1 2 ) (12/1228) hwceng0816 2012-07-21 2012-09-09 06:54:34 by jmsdxyf
[MS] [已完结]MS菜鸟求助各位大侠 (4/936) wyywyy8888 2012-04-02 2012-09-09 06:37:13 by 夏小莫
[MS] [已完结]关于CASTEP模板计算电脑配置问题 (4/1364) 444239852 2012-09-06 2012-09-08 23:43:25 by Zpffpz
[MS] [已完结]Fermi level not found (2/583) liuxiaomai 2012-09-07 2012-09-08 21:20:20 by mywtfmp3
[MS] [已完结]急求！！如何简化晶体结构！ (7/1607) lyl0514 2012-09-05 2012-09-08 17:09:52 by lyl0514
[MS] [已完结]ms建模问题    ( 1 2 ) (12/923) 菲顶顶 2012-09-05 2012-09-07 19:46:45 by 菲顶顶
[MS] [已完结]求可用的MS 5.0的.lic (5/2077) marshors 2012-02-05 2012-09-07 13:01:20 by 就是小新
[MS] 我算出来的Au原子能量，似乎不太靠谱 (2/686) chenxin1992 2012-09-06 2012-09-07 11:52:33 by chenxin1992
[MS] [已完结]Dmol3 运行失败 (3/709) huangshuang1 2012-08-27 2012-09-07 11:24:46 by 水晶蚂蚁
[MS] [已完结]不等价掺杂价态的确定 (0/787) iamphfeng 2012-09-07 2012-09-07 11:12:24 by iamphfeng
[MS] [已完结]哪位大侠帮一下小弟 (0/221) 夏小莫 2012-09-07 2012-09-07 10:31:41 by 夏小莫
[MS] 【求助】castep计算声子谱，为什么不能进行振动分析 (9/4469) 冰雨雾 2011-03-02 2012-09-07 09:22:26 by mhslee
[MS] [已完结]castep 运行失败    ( 1 2 ) (10/1257) 菲顶顶 2012-09-01 2012-09-06 21:21:59 by liutaifeng
[MS] [已完结]关于态密度的单位。。。 (2/3951) 浩之轻扬 2012-09-06 2012-09-06 19:24:48 by 浩之轻扬
[MS] [已完结]热力学性质的计算 (1/959) fengshiquan 2012-09-05 2012-09-06 16:33:41 by fengshiquan
[MS] [已完结]AgGaS2的CC相加压下的能量计算 (3/483) lyyzhangcong 2012-09-05 2012-09-05 23:42:33 by shmilylxc
[MS] [已完结]finite temperature 怎么去理解？ (4/1107) 浩之轻扬 2012-09-02 2012-09-05 21:29:22 by goldenfisher
[MS] [已完结]CASTEP中的能带隙怎么看的？ (7/2670) 浩之轻扬 2012-09-01 2012-09-05 11:53:13 by ted1277
[MS] [已完结]MS是否可以计算铁电性能 (1ST强帖+1)(7/2337) yss2790 2011-05-04 2012-09-05 06:08:46 by gswylq
[MS] [已完结]从ms里导出的坐标还需要优化吗 (3/497) 707462558 2012-09-04 2012-09-04 23:04:40 by 飞行鸟
[MS] [已完结]已知InI空间群，晶格参数，原胞内原子坐标，如何建模？ (0/442) jay743 2012-09-04 2012-09-04 16:57:33 by jay743
[MS] [已完结]MS里怎么用原胞的坐标建结构 (6/2545) wuhen997 2012-03-30 2012-09-04 16:32:46 by jay743
[MS] [已完结]2X2X2原子替换问题    ( 1 2 3 4 ) (30/1261) fds329 2012-08-29 2012-09-04 16:27:09 by fds329
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