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[热点] 酰胺脱乙酰基 chibby 2026-02-08 刚刚
[MS] [已完结]看李明宪MS教程中提到关于 CO 分子的極性的问题,求助哪位大神解释一下! (0/552) Water_0423 2014-05-04 2014-05-04 22:26:10 by Water_0423
[MS] [已完结]用dmol3计算石墨烯能带,取单胞,优化后计算 (1/1121) zhangsaihua 2014-05-04 2014-05-04 22:12:45 by mywai520
[MS] [已完结]加自旋几何优化晶格常数偏差较大 (6/1392) 一刀胡 2014-04-29 2014-05-04 12:37:07 by 一刀胡
[MS] [已完结]帮忙看看带隙几何 (0/224) qlsy 2014-05-04 2014-05-04 10:39:48 by qlsy
[MS] 表面能计算的困惑 (27/2157) TiaoTiA0 2013-10-25 2014-05-04 10:17:02 by sungjen
[MS] [已完结]计算有效质量时,对k点数的设置问题 (6/1915) 一川烟草 2014-04-30 2014-05-04 09:52:26 by 贺仪
[MS] 【求助】能带图形 (4/830) limin2007 2010-09-28 2014-05-04 06:48:40 by cuiting0228
[MS] [已完结]MS掺杂计算出错,求高手解答!    ( 1 2 ) (12/2158) zhongmuchun 2013-11-18 2014-05-04 05:30:17 by LuPeng5366
[MS] 【求助】ms计算失败原因 (7/1315) wydzyx2003 2010-12-11 2014-05-04 05:24:47 by xingzhewozhi
[MS] 求解释,constraints和restraints的不同 (0/974) 或许可以 2014-05-03 2014-05-03 20:10:44 by 或许可以
[MS] 为什么 每次算性质结束时 出现communicatetion failure (1/547) 一刀胡 2014-05-02 2014-05-02 22:44:35 by mywai520
[MS] [已完结]CASTEP计算总出错,求助 (7/1062) DANNY.SUE 2014-04-29 2014-05-02 22:05:27 by mywai520
[MS] [已完结]审稿意见如何理解? (3/500) kuner 2014-05-01 2014-05-02 20:56:33 by kuner
[MS] 有关掺杂稀土元素的MS计算问题 (3/1696) lx123ppp 2014-04-30 2014-05-02 13:24:10 by 卡开发发
[MS] [已完结]请帮忙看看掺杂后的带隙 (5/867) qlsy 2014-05-01 2014-05-02 11:21:21 by mywai520
[MS] [已完结]如何构建imogolite晶体 (1/384) 小虫_sang 2014-04-09 2014-05-01 20:57:46 by 测井_14
[MS] {112}<111>Cu|| {112}<110>Nb谁见过这种表达,什么意思?    ( 1 2 ) (14/2086) lx123ppp 2014-04-28 2014-05-01 19:19:28 by qshuang21
[MS] [已完结]态密度图中超过0的部分,属于价带还是导带啊,谢谢 (9/4975) jingjing1023 2014-04-27 2014-05-01 16:25:39 by 甲斐之虎
[MS] [已完结]想请教一下Castep软件怎么计算晶体XRD的    ( 1 2 ) (13/2944) apple183 2012-05-02 2014-04-30 19:15:42 by iamikaruk
[MS] 关于做二次差分电荷密度图 (4/1655) lilanvlinwei 2011-09-26 2014-04-30 17:56:05 by lx123ppp
[MS] 界面问题,为什么选(100)(111)(110)等这种面,就不能选(245)这种吗?    ( 1 2 ) (14/2006) lx123ppp 2014-04-28 2014-04-30 15:39:39 by wyding
[MS] [已完结]如何设置gateway问题求助 (1/543) 一二三吗 2014-04-30 2014-04-30 13:56:36 by mywai520
[MS] [已完结]MS计算用电脑 (1/693) 283208234 2014-04-30 2014-04-30 13:48:47 by mywai520
[MS] 【求助成功】MS安装gateway问题    ( 1 2 ) (11/2929) suny2005 2009-06-02 2014-04-30 07:02:06 by 一二三吗
[MS] [已完结]关于周期性纳米管结构优化的问题 (1/427) 小虫_sang 2014-04-29 2014-04-29 22:28:01 by mywai520
[MS] [已完结]MS6 中build菜单中crystal没有激活,怎么回事? (7/1207) lywbanner 2014-04-29 2014-04-29 22:07:59 by mywai520
[MS] [已完结]薄膜实验与理论计算 (7/1075) shixiuyang 2014-04-28 2014-04-29 11:35:31 by mywai520
[MS] [已完结]纳米管优化时真空层的问题 (6/1556) 小虫_sang 2014-04-28 2014-04-29 10:24:04 by 小虫_sang
[MS] [已完结]用Dmol3 LST/QST 计算过渡态的高手进来! (7/2924) 小小鑫000 2014-04-26 2014-04-28 23:22:28 by mywai520
[MS] [已完结]利用MS建立特定密度下CO2体系模型的方法 (6/1194) 横刀 2014-04-28 2014-04-28 23:02:40 by 横刀
[MS] 【求助】CASTEP & 碳纳米管计算的模型问题    ( 1 2 ) (15/2737) zhanglx8632 2010-11-07 2014-04-28 17:47:22 by 小虫_sang
[MS] [已完结]Dmol3优化结构时能量出现周期性变化,不是一直降低怎么回事 (5/1356) 小虫_sang 2014-04-28 2014-04-28 17:05:27 by mywai520
[MS] [已完结]MS某天开始变得狂占内存,计算速度变慢,原来不是这样的啊    ( 1 2 ) (13/1778) starrywang 2014-04-24 2014-04-28 16:48:58 by starrywang
[MS] [已完结]最近在学习分子动力学模拟,不知道castep跑分子动力学效果如何呢?    ( 1 2 ) (12/3738) purplesdd 2014-04-26 2014-04-28 15:13:13 by purplesdd
[MS] [已完结]cleave suface求助。 (7/1015) fyzhuhui 2014-04-27 2014-04-28 14:12:22 by fyzhuhui
[MS] [已完结]CASTEP建模问题(与Findit显示模型不匹配) (2/654) Tonisam 2014-04-27 2014-04-28 10:24:08 by 益达木糖醇
[MS] [已完结]请问出现如下提示需要做怎样的修改,怎么修改,谢谢 (3/700) Cherike 2014-04-18 2014-04-28 09:44:23 by manoozoro
[MS] 看了篇文献,看不懂啊 (0/157) lx123ppp 2014-04-27 2014-04-27 21:27:18 by lx123ppp
[MS] [已完结]Dmol3 做分子动力学模拟报错 (1/1580) vasp001 2014-04-27 2014-04-27 20:58:28 by mywai520
[MS] [已完结]Dmol3 做分子动力学模拟报错 (1/1411) vasp001 2014-04-27 2014-04-27 17:03:42 by 焦卫红
[MS] [已完结]掺杂Ni的ZnO (3/513) 小二丫 2014-04-27 2014-04-27 15:48:48 by 小二丫
[MS] [已完结]收敛性测试能否用小体系表示大体系? (1/391) 浔荆 2014-04-26 2014-04-26 23:44:01 by mywai520
[MS] [已完结]怎么利用Materials Studio判断晶胞属于哪个晶系??? (2/1385) 827260864 2014-04-25 2014-04-26 16:48:14 by 益达木糖醇
[MS] [已完结]使用dmol计算表面,加入分子后,下层的底层原子消失 (1/532) frankdove 2014-04-25 2014-04-25 21:48:05 by mywai520
[MS] [已完结]成键态和反键态 (1/4188) dreamdlh 2014-04-25 2014-04-25 21:44:30 by mywai520
[MS] forcite的nvt弛豫到底是oK弛豫还是在需要模拟的温度下进行弛豫? (5/971) ansysabaqus 2014-04-25 2014-04-25 17:00:00 by 怕哦哦哦
[MS] [已完结]castep关于能量收敛测试    ( 1 2 ) (13/2250) cholmon 2014-04-22 2014-04-25 13:17:44 by cholmon
[MS] [已完结]forcite模块里为什么restart,有时候能选择初始速度current,有时候只能默认random呢 (2/371) ansysabaqus 2014-04-25 2014-04-25 11:44:36 by ansysabaqus
[MS] [已完结]indirect band dap 和 direct gap 怎么理解?谢谢 (9/1782) jingjing1023 2014-04-21 2014-04-25 10:13:55 by jingjing1023
[MS] [已完结]四核八线程,超线程已经关了,在run的时候还是提醒有八个核心怎么办? (3/1204) ansysabaqus 2014-04-23 2014-04-24 23:59:26 by 晓默
[MS] 【求助】构建周期性非晶态单元 (3/434) elics 2011-04-07 2014-04-24 18:26:46 by 牛排小黑娇
[MS] forcite模块模拟氢气往TC4里扩散能得到什么?除了扩散系数 (0/309) ansysabaqus 2014-04-24 2014-04-24 17:32:58 by ansysabaqus
[MS] [已完结]自旋极化和LDA+U的U值应该在计算的什么阶段来设置 新手请指教 (7/2304) yangyangwlhx 2013-11-13 2014-04-24 14:22:55 by yangyangwlhx
[MS] [已完结]用CASTEP计算态密度无法收敛,求方法!!!! (7/2028) niuxiaoqi721 2014-04-21 2014-04-23 19:32:10 by lq6865387
[MS] [已完结]优化后晶格常数变化很大原因    ( 1 2 ) (10/3486) shixiuyang 2014-04-17 2014-04-23 17:37:25 by mywai520
[MS] [已完结]关于MS7中构建电极的问题看法 (3/710) 348666588 2014-04-23 2014-04-23 12:09:55 by mywai520
[MS] Materials Studio 奖学金计划!!! (2/994) 创腾科技 2014-04-22 2014-04-23 00:15:29 by mywai520
[MS] [已完结]MS中合金模型能做到无序掺杂吗 (2/554) sheep916628 2014-04-19 2014-04-22 21:41:22 by sheep916628
[MS] [已完结]石墨烯的计算 (2/498) winxuan 2014-04-21 2014-04-22 21:07:26 by winxuan
[MS] [已完结]吸附公式求助 (3/533) 王凯0370 2014-01-14 2014-04-22 20:12:05 by 卡开发发
[MS] [已完结]MS中用dmol3计算时各项参数的设置 (2/717) 西门yi夏 2013-03-18 2014-04-22 19:37:07 by ms宝宝
[MS] [已完结]关于计算时间问题 (6/1101) shixiuyang 2014-04-18 2014-04-22 16:43:40 by 零下1℃
[MS] 【求助】纳米线MS建模    ( 1 2 3 ) (20/3445) shucuicui 2010-04-22 2014-04-22 13:31:23 by yangjian911x
[MS] [已完结]求助Co3Si的晶体结构模型!!! (4/1303) 1306256567 2014-03-10 2014-04-22 10:46:53 by 1306256567
[MS] [已完结]求助:MS模拟磁性,关于加U的问题    ( 1 2 ) (13/2098) bobo1212 2014-03-26 2014-04-22 07:51:02 by mywai520
[MS] [已完结]悬挂键加氢钝化 (9/4245) 狗狗529 2012-06-11 2014-04-22 05:28:17 by wuli8
[MS] [已完结]请教第一性原理计算弹性模量的一些基础问题 (1/1747) 默默3283 2014-04-21 2014-04-22 00:40:49 by mywai520
[MS] [已完结]优化晶体缺陷时参数如何设置? (4/1232) jiangyanxue 2014-04-18 2014-04-21 23:23:33 by franch
[MS] [已完结]CASTEP 能带计算的路径问题 (6/2588) zpawl 2014-04-20 2014-04-21 22:06:16 by 嗨王and娜娜
[MS] [已完结]结构优化计算不收敛,是怎么回事?求帮助 (6/1931) DANNY.SUE 2014-04-18 2014-04-21 21:11:54 by DANNY.SUE
[MS] 【分享】Materials studio V4.4 for Windows Licenses    ( 1 2 3 4 ) (评阅+1) (30/3919) aray1577 2009-12-31 2014-04-21 20:33:39 by 鄙视鄙视你
[MS] [已完结]吸附能与解离能关系??? (1/2442) 画心 2014-04-21 2014-04-21 18:34:59 by mywai520
[MS] [已完结]什么方法可以模拟晶体的抗辐射能力? (0/291) 段建霞 2014-04-21 2014-04-21 15:06:50 by 段建霞
[MS] [已完结]什么方法可以模拟特定掺杂比例所需要的温度和压力? (0/261) 段建霞 2014-04-21 2014-04-21 14:59:14 by 段建霞
[MS] [已完结]求晶体的晶格参数    ( 1 2 ) (10/1175) 434451168 2014-04-20 2014-04-21 14:54:37 by 434451168
[MS] [已完结]关于纳米线在MS中的建模 (3/1099) xiaoyouzhi 2012-12-07 2014-04-21 14:12:15 by daba2016
[MS] [已完结]求尖晶石型锰酸锂的晶格参数 (2/1009) xmc2014 2014-04-21 2014-04-21 10:59:09 by xmc2014
[MS] [已完结]求助MS如何模拟不同的相对湿度下的平衡问题? (0/385) insecret 2014-04-21 2014-04-21 08:39:32 by insecret
[MS] [已完结]用Materials-Studio-Dmol3 做动力学模拟能不能同时把磁矩输出 (5/1320) vasp001 2014-04-19 2014-04-21 08:21:16 by 嗨王and娜娜
[MS] 急求哪位大神解惑 (2/479) Water_0423 2014-04-10 2014-04-20 19:48:39 by Water_0423
[MS] [已完结]MS 6.0总是提示licence 无效 (3/590) jnjnsun 2014-04-20 2014-04-20 15:07:43 by jnjnsun
[MS] [已完结]不同掺杂原子位置稳定性判断    ( 1 2 ) (12/2903) fyh987 2012-05-07 2014-04-20 05:10:50 by aaq2800
[MS] [已完结]氢化非晶硅建模 (1/469) kingskyfull 2014-04-19 2014-04-19 23:22:07 by mywai520
[MS] [已完结]程序自动关闭 (3/274) 0411caibo 2014-04-18 2014-04-19 12:51:34 by mywai520
[MS] [已完结]透射谱 castep (1/1214) shixiuyang 2014-04-19 2014-04-19 12:20:47 by mywai520
[MS] [已完结]如何从MS中将模型位置信息导出成.xyz格式? (3/1718) 黑暗游侠 2014-04-18 2014-04-19 11:01:45 by mywai520
[MS] [已完结]像这种ZnO晶格中,纳米线右边的空隙对计算有影响么? (3/461) 一川烟草 2014-04-18 2014-04-18 23:50:16 by HAN_G
[MS] [已完结]非局域函数电荷缺陷收敛问题? (1/556) sss3012 2014-04-18 2014-04-18 22:08:04 by 卡开发发
[MS] [已完结]6.1安装问题 (1/274) 122101948 2014-04-18 2014-04-18 11:35:10 by mywai520
[MS] CASTEP计算单原子时,K点为何选择GAMMA的理解 (0/1845) 浔荆 2014-04-18 2014-04-18 10:01:57 by 浔荆
[MS] [已完结]bcc金属锂结合能计算与文献中差别很大 (9/2082) purplesdd 2014-04-15 2014-04-18 09:42:42 by purplesdd
[MS] 【求助】MS建模替换原子    ( 1 2 3 ) (24/5905) liangping3881 2010-03-15 2014-04-18 04:54:57 by qlsy
[MS] 【求助】CASTEP计算介电常数 (4/1682) jgq880125 2011-03-25 2014-04-17 18:05:02 by 叶仙儿
[MS] [已完结]AC模块建模问题 (0/630) 安安猫 2014-04-17 2014-04-17 16:57:23 by 安安猫
[MS] [已完结]是不是用LST/QST寻找过渡态收敛性不太好? (0/433) ansysabaqus 2014-04-17 2014-04-17 15:29:58 by ansysabaqus
[MS] DMol3寻找过渡态有点慢啊。。。E3V2四核八线程算个18原子的,都两天了还没搞定 (7/1340) ansysabaqus 2014-04-11 2014-04-17 15:12:53 by ansysabaqus
[MS] [已完结]反应物之间反应能量 (1/291) 547475289 2014-04-17 2014-04-17 14:11:05 by mywai520
[MS] [已完结]MS小白求助晶体结构优化计算过程中结构变化 (1/537) nnccll01 2014-04-17 2014-04-17 14:09:40 by mywai520
[MS] 在MS中可以改变温度计算吗? (0/905) xhj08 2014-04-17 2014-04-17 11:13:06 by xhj08
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