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[热点] 十年后又回来了,论文投稿求助 哈哈114477 2026-08-08 刚刚
[MS] [已完结]为什么MS计算成功后结构文件不更新 (0/561) 15216105346 2015-09-26 2015-09-26 08:55:10 by 15216105346
[MS] [已完结]关于MS5.0在服务器上运行CPU和内存的使用情况问题 (5/1505) 小竹子AA 2015-07-13 2015-09-26 06:02:40 by 小竹子AA
[MS] [已完结]求CASTEP 教程和 实例 如果有Dmol计算磁性材料实例更好,加金币 (2/712) 026li 2015-09-03 2015-09-25 16:40:16 by 卡开发发
[MS] [已完结]MS入门求助 (5/684) tongcc096 2015-09-24 2015-09-25 16:18:27 by tcheng92
[MS] [已完结]XRD数据指标化 (0/932) 782911209 2015-09-25 2015-09-25 16:10:10 by 782911209
[MS] Dmol3里如何选择closed Shell和open shell (2/752) binghe5945 2015-09-23 2015-09-25 11:37:09 by rx93hughes
[MS] [已完结]门外汉想入手MS (2/420) gdw8668 2015-09-24 2015-09-25 09:46:51 by tcheng92
[MS] 量子化学 (0/315) jin_____ 2015-09-24 2015-09-24 20:08:15 by jin_____
[MS] [已完结]下到一个硅酸盐结构,为啥其中有的键断裂了? (3/679) zyj8119 2015-09-24 2015-09-24 19:49:15 by hakuna
[MS] [已完结]各位计算Band structure及DOS的大神进来瞧瞧!    ( 1 2 ) (17/1625) 阿娇rital 2015-09-19 2015-09-24 18:31:49 by 阿娇rital
[MS] [已完结]CASTEP中的spin polarized设置求助    ( 1 2 ) (13/5586) xxxxxxxfc 2014-09-19 2015-09-24 08:07:39 by wan121036604
[MS] [已完结]用Castep计算时,函数的选择问题 (1/402) wsm1973a 2015-08-27 2015-09-23 22:28:37 by kaka34
[MS] [已完结][关贴]请问如何对面心结构Ag单胞或原胞操作画出一个八面体Ag呢? (0/611) 淡淡芬芳 2015-09-23 2015-09-23 22:17:14 by 淡淡芬芳
[MS] [已完结]关于molecule of LUMO的问题 (3/382) 故乡的一抹风 2015-09-22 2015-09-23 16:30:35 by 故乡的一抹风
[MS] 磁性问题求助!!!大神看过来!!! 20 (0/359) 学海浪子 2015-09-23 2015-09-23 15:31:26 by 学海浪子
[MS] MS8.0没有discover模块吗? (2/1190) xiaochen8818 2015-09-23 2015-09-23 14:38:44 by pigrass
[MS] [已完结][关贴]bader分析CASTEP文件 (0/275) boyin700 2015-09-23 2015-09-23 11:08:41 by boyin700
[MS] 【重点讨论】计算能带时如何确定高对称点和k-points path?    ( 1 2 3 4 5 ) (评阅+1) (40/19236) ddang100 2010-08-06 2015-09-23 07:43:08 by ligangxtu
[MS] [已完结]有关光学带隙 (2/1017) 阿娇rital 2015-09-22 2015-09-22 22:26:18 by 阿娇rital
[MS] [已完结]MS建界面时匹配度超过百分之五可以构建吗,会有什么后果? (0/496) sun小强 2015-09-22 2015-09-22 20:28:38 by sun小强
[MS] [已完结]castep k 点 (6/1156) 芊芊草^-^ 2015-08-29 2015-09-22 19:28:54 by neweroica
[MS] [已完结]算能量时遇到的问题 (4/656) 化育天工 2015-09-10 2015-09-22 19:07:29 by franch
[MS] [已完结]还是电子最小化无法收敛的问题~ (2/603) 化育天工 2015-09-21 2015-09-22 13:06:27 by 化育天工
[MS] [已完结]为什么要在碳纳米管两端加氢原子 (1/691) lgq250198767 2015-09-21 2015-09-22 07:01:59 by lu_wei07
[MS] 想要发表含MS的文章 (5/1022) xiaochen8818 2015-09-20 2015-09-22 04:51:35 by lu881688
[MS] [已完结]怎样编写脚本提交castep任务    ( 1 2 ) (10/1945) 奥特曼Baby 2015-09-17 2015-09-21 22:52:28 by 奥特曼Baby
[MS] [已完结]为什么我在LINUX中装MS5.5到这步就停了 (2/358) xudianshuang 2015-09-21 2015-09-21 20:29:59 by xudianshuang
[MS] [已完结]materials studio如何计算和构建同位素 (0/919) zb3ynf 2015-09-21 2015-09-21 20:23:23 by zb3ynf
[MS] 构建合金如何固定成分比例 (2/347) xiaochen8818 2015-09-18 2015-09-21 14:38:53 by xiaochen8818
[MS] MS中CASTEP仿真后能带图不显示能带间隙,求原因补救办法 (6/2462) cheng二江 2015-09-15 2015-09-21 09:50:11 by cheng二江
[MS] [已完结]关于吸附强度 (0/936) dingniu2 2015-09-21 2015-09-21 09:21:34 by dingniu2
[MS] [已完结]MS怎么计算布局分析 (0/1497) lgq250198767 2015-09-20 2015-09-20 22:15:32 by lgq250198767
[MS] 00 (30/2606) sunyiqiang09 2015-04-08 2015-09-20 17:27:25 by hhbingf
[MS] [已完结]求助MS5.5forlinux (2/358) 菲顶顶 2012-09-21 2015-09-20 11:25:52 by 菲顶顶
[MS] [已完结]惠普Z840用来CASTEP计算,配置各位觉得如何 (7/1308) starrywang 2015-09-01 2015-09-20 10:43:31 by starrywang
[MS] [已完结]哪位给分享一个MS8.0的安装包 (2/1166) 303103263 2015-08-23 2015-09-19 21:07:20 by 303103263
[MS] [已完结]CASTEP计算磁性能 (1/570) 548446557 2015-09-17 2015-09-19 19:09:13 by 548446557
[MS] [已完结]想知道NiSe的能带结构,下了MS还没学会,请问有知道怎么算的没,急求啊!! (0/199) hakebeili 2015-09-19 2015-09-19 11:15:23 by hakebeili
[MS] [已完结]Linux下MS5.5安装成功,但只能在管理节点运行,无法在计算节点并行运行 (5/2124) hellrose 2013-04-23 2015-09-19 06:16:22 by cshcgy
[MS] [已完结]有关MS安装及计算的一些疑问 (0/329) luochuiyi90 2015-09-18 2015-09-18 22:33:31 by luochuiyi90
[MS] MS 求助 label 标签命名怎么调整位置? (2/572) byh02 2015-09-18 2015-09-18 20:39:28 by byh02
[MS] 讨论&请教关于非周期建模的问题 (7/1230) 85yw 2015-09-17 2015-09-17 16:55:58 by pigrass
[MS] [已完结]关于在超算上使用castep计算态密度等性质的相关问题求助 (1/1101) w3863719 2015-01-15 2015-09-17 14:04:03 by 奥特曼Baby
[MS] [已完结][关贴]进行第一性原理计算一种无序晶体,比如同一个位置溴的概率是25%,氯是75% (2/751) scuedu2 2015-09-16 2015-09-17 09:37:11 by scuedu2
[MS] MS能不能构建出不同成分的合金钢? (1/321) xiaochen8818 2015-09-16 2015-09-17 08:18:57 by xiaochen8818
[MS] [已完结]请问一个概念 polar surface (2/641) 核桃仁248 2015-09-16 2015-09-16 23:20:24 by wangyan6930
[MS] [已完结]MS精修中参数的调整 (0/470) zhenglijun-8 2015-09-16 2015-09-16 16:46:15 by zhenglijun-8
[MS] [已完结]使用MS的castep进行计算的时候energy,总是出现job failure (7/1987) scuedu2 2015-09-07 2015-09-16 10:00:24 by scuedu2
[MS] 多个周期性盒子的合并 (0/293) 张益坤 2015-09-16 2015-09-16 09:59:29 by 张益坤
[MS] 利用MS计算界面的结合能    ( 1 2 ) (10/5833) xiaochen8818 2015-09-09 2015-09-16 09:55:17 by xiaochen8818
[MS] [已完结]Error reading item 'MAGMOM' from file INCAR---求解决啊!!!! (7/5313) 381233029 2015-09-15 2015-09-16 08:24:48 by 381233029
[MS] [已完结]动力学模拟初始结构建模 (0/321) 张益坤 2015-09-15 2015-09-15 15:53:05 by 张益坤
[MS] [已完结]急啊 (6/679) 沈小朋 2015-09-14 2015-09-15 15:47:50 by 沈小朋
[MS] [已完结]小白想问一下关于作图的问题 (4/691) dongwenze54 2015-09-14 2015-09-15 14:20:24 by Leosunmy
[MS] [已完结]MS优化总是失败,跪求大手看看是怎么一回事。 (2/3270) zhaozecheng 2015-09-14 2015-09-15 14:16:22 by Leosunmy
[MS] 运行MS5.0出现“Cannot find licensing library:ls_license_2008.dll” (6/3418) alixy1 2013-06-17 2015-09-15 08:36:29 by wlcy
[MS] [已完结]Polymorph使用求助 (0/290) xuezheng6533 2015-09-15 2015-09-15 08:28:30 by xuezheng6533
[MS] [已完结]有关MS计算配置的问题 (9/1769) luochuiyi90 2015-09-08 2015-09-14 17:07:26 by luochuiyi90
[MS] [已完结]两种物质组合成新材料,怎样算物质的形成能 (1/1012) li08027113 2015-09-01 2015-09-14 15:42:14 by shadowlisong
[MS] [已完结]求Materials Studio 8.0    ( 1 2 ) (12/2325) truemantwo 2015-04-22 2015-09-14 07:15:37 by lishiji
[MS] [已完结]Materials-studio有机晶体建模求助 (1/1122) wangwei511 2013-07-10 2015-09-13 11:44:24 by jianghuaiyu
[MS] [已完结]关于结构建立 (0/257) 被抛弃的菜 2015-09-12 2015-09-12 14:56:32 by 被抛弃的菜
[MS] [已完结]黑磷建模 (1/1431) CCCL~卜卜星 2015-09-10 2015-09-12 07:48:19 by zuocuiping
[MS] [已完结]求文献,请问哪位虫友能提供一些有关计算不同x,y,z方向的有效质量的文献?谢谢 (1/971) tsglss 2015-09-10 2015-09-11 22:39:29 by 漫天飘雪
[MS] [已完结]dmol3计算raman强度 (0/942) scq123 2015-09-11 2015-09-11 15:20:10 by scq123
[MS] [已完结]体系带净电荷的能级问题,求助 (0/544) haodalong218 2015-09-11 2015-09-11 14:20:30 by haodalong218
[MS] [已完结]Dmol3加电场方向问题 (5/2575) chzh1987 2015-04-15 2015-09-10 13:16:01 by dongwenze54
[MS] [已完结]如何计算晶体的表面能及如何查询表面能实验数据? (3/1775) momo_NT 2015-09-07 2015-09-09 16:42:34 by xrdcvw73
[MS] [已完结]用Castep进行结构优化,如何设置参数使晶胞参数的c值变小    ( 1 2 ) (13/1829) wj_boo 2015-08-27 2015-09-09 15:07:33 by 小学英语本
[MS] [已完结]能不能进来帮我看一下能带图和DOS图,有个小问题想请教一下,谢啦    ( 1 2 ) (14/1643) 为自己改变 2015-09-07 2015-09-09 11:05:37 by 枫寒
[MS] [已完结]win10系统下能用MS 么 (6/1505) 14789208 2015-09-07 2015-09-09 09:01:49 by skyheight
[MS] [已完结]利用MS计算界面能 (2/1917) zhangkexiang 2015-08-31 2015-09-08 20:27:24 by 337139056
[MS] [已完结]请问一下剪刀法修能带是哪个参数啊?在哪里修改? (4/1430) 子月之路 2015-09-04 2015-09-08 17:33:24 by tsglss
[MS] [已完结]带隙(赝能隙)问题    ( 1 2 3 ) (20/5194) wenzhiqin 2012-06-18 2015-09-08 17:08:12 by 为自己改变
[MS] [已完结]几何优化对半导体带隙计算的影响 (1/591) phydongchen 2014-10-30 2015-09-07 16:31:13 by SZAY
[MS] 【求助】纤锌矿GaN模型建立时原子坐标 (4/2198) liqian16 2010-05-11 2015-09-07 07:22:17 by nestil
[MS] 【求助】dmol3中外加电场的单位a.u.怎么换算成国际单位 (11/4998) mouse3511 2010-12-14 2015-09-06 13:35:28 by jbm梦逍遥
[MS] 吸附模型优化后原子减少 (6/1185) thbiao 2015-07-07 2015-09-06 08:35:49 by linda19918
[MS] 【求助】计算吸附能有几点疑惑,请大家帮帮忙    ( 1 2 ) (10/3102) limin2007 2010-12-05 2015-09-06 07:47:16 by 微6凉
[MS] Material studio 能模拟量子点发光二极管吗? (5/1789) dygtj 2012-10-30 2015-09-04 12:21:50 by cscsycy
[MS] [已完结]超胞问题 (0/1401) 548446557 2015-09-03 2015-09-03 17:10:22 by 548446557
[MS] [已完结]构型筛选方法 (2/491) 548446557 2015-09-02 2015-09-03 16:58:59 by 548446557
[MS] [已完结]cestep中分析density of states (1/864) 我爱砖头 2015-03-23 2015-09-03 11:48:30 by SZAY
[MS] [已完结]MS中电荷密度数值的读取 (0/569) 伊点若天 2015-09-02 2015-09-02 19:38:41 by 伊点若天
[MS] [已完结]运行castep,工作站配置,求指导?    ( 1 2 ) (13/1631) 狻猊-狴犴 2015-03-11 2015-09-02 16:47:40 by SZAY
[MS] [已完结]我想用CASTEP构建两个相的界面模型,但是不会构建,希望大神给予指导    ( 1 2 ) (12/1975) guorui50000 2015-07-29 2015-09-02 09:34:24 by guorui50000
[MS] [已完结]MS中中如何将castep中 band structure能带图中的alpha和beta分开来看? (1/2662) 阿娇rital 2015-07-02 2015-09-02 06:45:43 by 李冬德
[MS] [已完结]请问怎样用Dmol3算出来的结果画红外光谱图 (5/1691) linbin1990 2014-03-24 2015-09-02 06:24:59 by hongsemenghuan
[MS] [已完结]求助 MS的castep模块能算功函数吗? (1/833) jhniu8233 2015-06-27 2015-09-02 03:11:56 by mhslee
[MS] [已完结]文献理解问题 (0/230) 芊芊草^-^ 2015-09-01 2015-09-01 11:07:46 by 芊芊草^-^
[MS] [已完结]请教一下怎么利用GGA+U的方式计算过渡金属能带结构? (0/943) ljyang320 2015-08-31 2015-08-31 11:18:08 by ljyang320
[MS] [已完结]有关materials studio画分子的问题 (1/2060) hunterbleach 2014-12-19 2015-08-30 13:18:43 by 高恒蛟
[MS] [已完结]审稿人要求给出结构优化的参数,需要给出那些量? (5/971) kuramalee 2015-08-25 2015-08-29 17:01:02 by njn0516
[MS] [已完结]ms默认坐标单位讨论 (2/691) 1271181062 2015-08-28 2015-08-29 10:46:22 by 1271181062
[MS] [已完结][关贴]吸附能的问题 (6/1379) yuanlh 2015-08-26 2015-08-28 18:35:22 by neweroica
[MS] [已完结]CASTEP表面能的计算 (4/2084) huzi2359 2014-09-09 2015-08-28 06:07:22 by xiewei娜
[MS] 表面和界面模型构造 (4/1057) dengc09 2015-06-18 2015-08-27 18:18:30 by xiewei娜
[MS] [已完结]第一原理结构优化问题 (0/408) kuramalee 2015-08-27 2015-08-27 17:07:57 by kuramalee
[MS] [已完结]DMOL3    ( 1 2 ) (12/1449) 只开一次的竹 2015-08-23 2015-08-27 08:08:42 by 只开一次的竹
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