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[热点] 297求调剂 ljy20040718! 2026-04-07 刚刚
[MS] [已完结]求教:想请教一下MS能否计算变形晶格的电子结构 、声子谱还有声电子耦合常数 (6/981) qlee 2013-10-18 2013-10-19 12:03:34 by lxc6680219
[MS] [已完结]projected dos 和partial dos 什么区别 (9/3278) purplesdd 2013-10-16 2013-10-19 08:56:00 by purplesdd
[MS] 【放弃求助】谁知道VAMP模块的精度和参数设置 (6/1531) qiangwxr 2010-09-01 2013-10-18 20:25:29 by zidane611
[MS] [已完结]求助文献 (1/337) wsm1973a 2013-10-18 2013-10-18 16:50:15 by 怒冲星河
[MS] [已完结]真心求助:如何用MS计算多元(至少3种元素及以上)相结构的稳定性(如形成能等)? (2/808) afu0007 2013-10-17 2013-10-17 22:10:20 by afu0007
[MS] [已完结]在MS中如何建立Au20四面体结构? (0/961) 金柱 2013-10-17 2013-10-17 18:03:50 by 金柱
[MS] 态密度图中了解磁矩 (1/1379) gsq920306278 2013-10-17 2013-10-17 17:41:17 by xzy401633
[MS] [已完结]态密度问题求正解 (9/2778) purplesdd 2013-10-15 2013-10-17 17:37:35 by purplesdd
[MS] [已完结]怎样判断导带和价带位置? (9/6921) lyy7120118 2012-11-28 2013-10-17 13:20:21 by wushiqiaowpp
[MS] [已完结]求助:MS优化参数设置----二元合金结构 (2/820) fangyongxinxi 2011-11-26 2013-10-16 19:16:23 by 982665297
[MS] [已完结]吸附小分子 (1/562) lxjpwz198856 2013-10-16 2013-10-16 16:06:22 by zmrright
[MS] 【求助】关于杂质形成能的计算请教! (14/1679) shihuangzhe 2010-12-26 2013-10-16 13:45:54 by sungjen
[MS] [已完结]形成能计算中,单原子能量计算问题。 (6/2546) 傻孩阿布 2013-04-22 2013-10-16 13:32:29 by sungjen
[MS] 【求助】继续讨论关于形成能的问题    ( 1 2 ) (15/2198) xiaobai216 2010-10-27 2013-10-16 13:28:20 by sungjen
[MS] 【求助】急!!MS如何算晶体Si的结合能 (4/2961) piaoxue001 2010-06-10 2013-10-16 12:52:32 by sungjen
[MS] [已完结]态密度问题求正解 (2/598) purplesdd 2013-10-16 2013-10-16 11:58:22 by purplesdd
[MS] [已完结]CASTEP优化求解    ( 1 2 ) (10/1579) 画心 2013-10-10 2013-10-16 09:57:16 by 画心
[MS] [已完结]跪求Materials-studio在window7的安装步骤 (1/427) 西北偏北1092 2013-10-15 2013-10-15 21:30:49 by cumt蝈蝈
[MS] [已完结][关贴]MS中,关于掺杂碳纳米管的建模问题,求教 (0/984) leanner 2013-10-15 2013-10-15 20:12:50 by leanner
[MS] [已完结][关贴]Mo2C计算dos时外层电子问题,很困惑 (3/479) purplesdd 2013-10-14 2013-10-15 14:49:12 by purplesdd
[MS] 小弟已经泪崩,跪求大神搭救。。。 (26/3135) ning007 2013-10-06 2013-10-15 13:20:37 by ning007
[MS] 【求助】相变压力 (5/1799) true11 2011-03-18 2013-10-15 10:35:35 by 迷途大书童
[MS] [已完结]掺杂后体系的Total Energy应该比掺杂前大还是小? (8/1490) lzn_t 2012-09-26 2013-10-15 07:46:16 by sungjen
[MS] [已完结]晶体形成焓值越大,结构越稳定? (1/2486) 151637 2013-10-14 2013-10-14 19:27:45 by lq6865387
[MS] [已完结]MOF按固定位置掺杂Li后怎么让掺杂后MOF具有周期性,成为晶包 (1/331) ligesi 2013-09-08 2013-10-14 16:52:59 by ligesi
[MS] 小弟是初学,刚开始接触计算, 声子色散曲线图中都可以看出什么信息啊 (4/2533) 隔壁小马 2013-10-11 2013-10-14 15:16:10 by 迷途大书童
[MS] [已完结]用CASTEP计算磁性体系的单点能时,为什么体系会有初始的铁磁变成亚铁磁?谢谢! (3/736) 奋力拼搏 2013-08-15 2013-10-14 12:10:30 by xzy401633
[MS] [已完结]castep计算无机晶体能带结构设置问题 (2/834) zhugezilong 2013-08-28 2013-10-14 11:28:58 by xzy401633
[MS] [已完结]知道如何确定6.25%Ni掺杂ZnO(2*2*2超晶胞)最稳定结构?截止能取多少啊? (2/705) 学员gQrpKs 2013-10-13 2013-10-14 09:51:48 by 1989luyihong
[MS] [已完结]求一个典型的焦绿石结构文件A2B2O6O'型的 (1/325) sunbin0322 2013-10-13 2013-10-14 09:45:33 by nicolemikeyi
[MS] [已完结]新手请教initial spine 设置问题 (0/473) yangyangwlhx 2013-10-13 2013-10-13 20:42:50 by yangyangwlhx
[MS] [已完结]MS新新新人求助 MS里怎么在铝基上建立氧化铝层并且测试性能 (3/715) luyifanfan 2013-10-08 2013-10-13 19:28:36 by luyifanfan
[MS] [已完结][关贴]有机晶体拉曼光谱计算求助 (1/751) 雁过无痕 2013-10-03 2013-10-13 17:06:13 by 雁过无痕
[MS] CASTEP切面问题 (4/1283) SouW2014 2013-10-09 2013-10-13 15:08:11 by sunboyccc
[MS] [已完结]CASTEP计算Raman谱如何设置参数? (金币≥5)(2/124) shengfengyu 2011-05-19 2013-10-13 14:02:26 by 雁过无痕
[MS] 位置多的拉曼活性 (1/362) gudutu19@126 2012-07-12 2013-10-13 13:59:16 by 雁过无痕
[MS] [已完结]final energy、Final free energy (E-TS)、NB est. 0K energy (E-0.5TS) (1/2005) Brilliantly 2013-10-12 2013-10-13 13:21:17 by Brilliantly
[MS] [已完结]Castep 算的这个介电函数如何分析 (0/2925) jieren2013 2013-10-13 2013-10-13 12:03:48 by jieren2013
[MS] [已完结]MS的建模问题 (0/314) 只开一次的竹 2013-10-13 2013-10-13 09:32:28 by 只开一次的竹
[MS] [已完结]castep收敛问题 (4/2005) zzjjungle 2012-10-11 2013-10-13 05:57:16 by 1134684571
[MS] [已完结]sp2~~sp3 键 (8/1181) 李佳佳佳 2013-05-09 2013-10-12 17:02:38 by KalaShayminS
[MS] [已完结]在结构优化时为什么k点会自动改变? (7/1030) Brilliantly 2013-10-11 2013-10-12 09:50:18 by Brilliantly
[MS] [已完结]同一原子不同价态掺杂TiO2应该怎么替换?请教各位前辈 (0/937) 衔走阳光 2013-10-11 2013-10-11 11:30:37 by 衔走阳光
[MS] [已完结][关贴]n型掺杂后,杂质能级是否能进入导带? (1/606) yangchengxu 2013-10-11 2013-10-11 09:57:53 by yangchengxu
[MS] [已完结]态密度图纵坐标单位的转换 (2/2673) chongxiaoyu 2013-10-10 2013-10-11 08:49:19 by lq6865387
[MS] [已完结]关于布局分析    ( 1 2 ) (13/2628) 444239852 2013-10-08 2013-10-11 08:26:21 by lq6865387
[MS] [已完结]castep中 正交结构的加压优化 (0/573) li491312026 2013-10-10 2013-10-10 21:12:49 by li491312026
[MS] [已完结]optados的使用 (0/445) 肖瑞春 2013-10-10 2013-10-10 20:44:45 by 肖瑞春
[MS] [已完结]MS中对每个模块额中文介绍 (5/1402) 白发魔女 2013-10-09 2013-10-10 17:39:56 by 奔跑的爷们
[MS] 用MS运算时出现了这种问题,求大神解答 (0/241) 水仔 2013-10-10 2013-10-10 16:50:44 by 水仔
[MS] [已完结]求助Ternary半导体的优化结构参数怎么与实验值相比? (3/541) 375642546 2013-09-11 2013-10-10 13:41:02 by 375642546
[MS] MS遇到了问题,大家帮忙解决一下    ( 1 2 ) (12/2390) jelly62 2011-10-18 2013-10-10 10:13:46 by 水仔
[MS] [已完结]CASTEP超胞边界上的原子为什么不能单个被替换? (8/2000) 磊俊陈 2013-10-08 2013-10-10 08:40:19 by 磊俊陈
[MS] 【求助】关于形成能的大小问题    ( 1 2 ) (14/2469) yankai131 2010-06-14 2013-10-10 07:47:58 by lijiao_112
[MS] [已完结]换了MS版本对计算数据有影响吗? (5/1122) gsq920306278 2013-10-06 2013-10-09 20:12:19 by 流水叮当
[MS] MS5.5(Win XP)安装时必须要有网线吗,无线网络不行么?    ( 1 2 ) (12/2306) 067080117 2011-11-19 2013-10-09 17:26:36 by luoxuanhao
[MS] [已完结]求Cd2Nb2O7的cif文件 (1/446) gaohong1399 2013-10-08 2013-10-09 10:45:35 by nicolemikeyi
[MS] [已完结]求助:ms中如何建立立方和单斜的CuO (0/383) zhyhzbdx 2013-10-09 2013-10-09 10:43:22 by zhyhzbdx
[MS] 【求助】MS计算CPU占用率问题,求教    ( 1 2 ) (17/2293) Excaliburn 2010-12-15 2013-10-09 06:35:40 by 愤怒的姿态
[MS] 【求助】MS在Linux下的并行计算问题 (5/1891) byin 2010-06-24 2013-10-09 06:18:01 by 愤怒的姿态
[MS] [已完结]跪求:有没有什么资料详细的讲解用轨道杂化分析态密度图 (评阅-2) (5/2681) 鱼儿的幸福窝 2013-10-08 2013-10-09 03:09:42 by dxcharlary
[MS] [已完结]关于吸附的差分电荷密度图如何分析    ( 1 2 ) (13/3906) 乡村之亭 2013-05-04 2013-10-08 17:50:38 by fds329
[MS] [已完结]castp计算声子色散谱PhonDisp的时候,总是出现错误,请大家帮忙看一下什么问题。 (1/654) 0502114073 2013-10-07 2013-10-08 10:56:05 by liping888
[MS] [已完结]求各位帮忙看一下这个图对不对 (2/376) 0502114073 2013-09-30 2013-10-07 18:53:55 by liping888
[MS] 收敛测试的讨论 (14/2186) 菲顶顶 2012-11-20 2013-10-07 17:27:28 by yangyangwlhx
[MS] 找个YFeO3原子的wyckoff位置怎么就那么难 (5/1138) 一刀胡 2013-10-01 2013-10-07 16:32:01 by chenyuchen
[MS] [已完结]求各位看一下DOS图怎么解释 (6/841) 0502114073 2012-12-26 2013-10-07 15:59:03 by liping888
[MS] [已完结]计算单点能的时候能量后面出现这句 energy not corrected for finite basis set (0/1262) yangyangwlhx 2013-10-06 2013-10-06 21:55:51 by yangyangwlhx
[MS] [已完结]关于间隙掺杂N原子 (5/2082) 飘在空中的雨 2011-11-21 2013-10-06 18:11:23 by zuocuiping
[MS] [已完结]ms计算本征晶体形成能的具体方法 (0/739) keyanmuchong 2013-10-06 2013-10-06 16:33:16 by keyanmuchong
[MS] [已完结]para文件中的nextra_bands是什么 (5/1635) purplesdd 2013-10-03 2013-10-06 10:26:44 by franch
[MS] [已完结]金属In晶体晶格常数 晶胞原子数目 (1/1240) gavinqiqi 2011-09-21 2013-10-06 06:28:33 by purplesdd
[MS] [已完结]求高手将以下computational method翻译成中文,专业术语太多不知道怎么翻译    ( 1 2 ) (11/2385) 415999915 2011-12-27 2013-10-06 05:15:58 by liqiya
[MS] [已完结]求助关于形成能的大小对实验的影响~ (0/338) lijiao_112 2013-10-05 2013-10-05 20:07:29 by lijiao_112
[MS] [已完结]请问,vasp和castep计算结构差别很大吗? (1/513) purplesdd 2013-10-05 2013-10-05 16:52:01 by 漫天飘雪
[MS] [已完结]计算所得的能量最低到底是什么能量呢? (8/1364) Brilliantly 2013-10-01 2013-10-04 12:04:15 by lxc6680219
[MS] [已完结]初学者 关于castep对E-cut 测试 遇到的一些问题 求指导 (0/210) yangyangwlhx 2013-10-04 2013-10-04 10:45:51 by yangyangwlhx
[MS] [已完结]MS新手请教一个关于晶体建模的问题 (7/1739) xmq135828 2013-10-02 2013-10-04 10:19:39 by zuocuiping
[MS] [已完结]结构优化时 出了这个对话框 该如何解决 请高手指点 (0/231) yangyangwlhx 2013-10-03 2013-10-03 20:16:03 by yangyangwlhx
[MS] [已完结]求完整的中科大MaterialsStudio培训教程 (0/1577) fyzhuhui 2013-10-03 2013-10-03 16:07:05 by fyzhuhui
[MS] [已完结]Dmol3计算晶体的THz问题 (0/287) 龙山狮崖 2013-10-02 2013-10-02 01:18:44 by 龙山狮崖
[MS] [已完结]MS计算连网? (0/378) ssttssqq9118 2013-10-01 2013-10-01 10:27:28 by ssttssqq9118
[MS] [已完结]几何优化过程    ( 1 2 ) (14/1944) youziyouzi 2013-07-04 2013-10-01 09:24:23 by yangyangwlhx
[MS] [已完结]跪求:怎样看成键类型 (0/2153) kcy87123777 2013-09-30 2013-09-30 15:31:19 by kcy87123777
[MS] [已完结]Materials-Studio 6.1 (win7/64位) 安装过程中出现的问题 (2/1028) Point_Chen 2013-09-23 2013-09-29 14:37:33 by Point_Chen
[MS] [已完结]对原子旋转后坐标改变,怎么回事 (0/338) quasimodo~ 2013-09-29 2013-09-29 11:23:26 by quasimodo~
[MS] [已完结]我是真的想哭了。建模方面求助。    ( 1 2 3 4 ) (30/1854) lijiao_112 2013-09-23 2013-09-29 09:54:09 by xukun889490
[MS] [已完结]ms计算界面问题 (3/889) 寂寞流年 2013-09-25 2013-09-29 00:15:01 by lx123ppp
[MS] Dmol3 的计算结果可信度如何判定? (1/455) zmrright 2013-09-28 2013-09-29 00:03:04 by huxiao.gl
[MS] [已完结]smearing到底选多大合适? (8/1769) hyliu0618 2013-01-16 2013-09-28 18:46:37 by zmrright
[MS] [已完结][关贴]求教,关于使用MS建石墨烯超胞模型,然后导入vasp中运算 (4/2057) 前田庆次 2013-09-27 2013-09-28 15:57:07 by 前田庆次
[MS] 【求助】上哪查原子的化学势? (1/1837) zhenfeili 2010-11-17 2013-09-28 15:22:11 by kugou521
[MS] [已完结]求一个标准的石墨烯能带结构图 (3/1024) 风雨彩虹1602 2013-09-14 2013-09-27 23:39:34 by dxcharlary
[MS] [已完结][b]求MS正版用户帮忙在官网下个文档[/b] (0/215) qzhost 2013-09-27 2013-09-27 22:48:41 by qzhost
[MS] [已完结]castep constraints (5/870) wanby76 2013-09-27 2013-09-27 17:42:54 by wanby76
[MS] [已完结]关于氧分子建模的讨论 (2/937) 学员AcTPy7 2013-09-26 2013-09-27 17:00:20 by qq364085265
[MS] [已完结]优化结构时的自旋极化 (3/1510) forfree 2013-09-27 2013-09-27 16:38:26 by lu_wei07
[MS] 【求助成功】MS背景能转化为白色的么或者截图底色变为白色 (4/2923) xk6891 2011-02-25 2013-09-27 13:11:57 by yujingui
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