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[热点] 2024 - Donor Acceptor Cyclopropanes in Organic Synthesis asymmsyn 2026-02-07 刚刚
[MS] [已完结]询问castep 出现这样的失败窗口的原因 (6/774) 七夕墨 2015-01-21 2015-01-23 19:33:33 by 飞行鸟
[MS] [已完结]建模急求关于Mn4B完整结构的文献 (0/181) ysun2014 2015-01-23 2015-01-23 19:10:23 by ysun2014
[MS] [已完结]介孔碳的分子模型怎么构建 (0/379) abczjp 2015-01-23 2015-01-23 15:07:52 by abczjp
[MS] [已完结]Materials-studio 6.0 (2/503) JJ20 2015-01-23 2015-01-23 10:58:20 by ljw4010
[MS] [已完结]用castep计算体心立方Fe的弹性常数自旋怎么设置? (0/1017) guorui50000 2015-01-23 2015-01-23 09:43:10 by guorui50000
[MS] [已完结]关于Castep 算晶面上吸附的吸附模型的建立,表面饱和悬空键原子位置的提问 (1/1502) 王梦ariel 2014-09-13 2015-01-22 17:50:17 by 王wzz
[MS] [已完结]Dmol 中的Calculate partial hessian 是什么意思? (4/1390) cshcgy 2012-04-17 2015-01-22 05:49:44 by 卡开发发
[MS] [已完结]castep问题求助    ( 1 2 3 ) (29/4315) xiaobo5412 2014-05-11 2015-01-22 05:43:38 by ysun2014
[MS] [已完结]2*Integrated Spin Density (0/1180) alix 2015-01-21 2015-01-21 20:33:43 by alix
[MS] [已完结]CASTEP 里 Hirshfeld Analysis的具体解释 (2/2611) suxin_phy 2014-12-10 2015-01-21 15:24:39 by suxin_phy
[MS] [已完结]spin 以及 alpha and beta (6/1591) wangle_17 2015-01-20 2015-01-21 13:04:41 by wangle_17
[MS] [已完结]MS7.0-castep板块并行问题,只能用一个核算,两个核以上就会出错!这是为什么啊? (4/936) 吕小强强 2014-10-05 2015-01-21 06:56:51 by 一刀胡
[MS] Castep结构优化,需要make P1吗? (0/2538) diezhuzhu 2015-01-20 2015-01-20 21:19:06 by diezhuzhu
[MS] [已完结]castep计算bandstr后模型发生移动 (8/1349) 446181697 2015-01-17 2015-01-19 23:25:55 by njuedu007
[MS] [已完结]请问ms中用castep计算得到的absorption是什么意义? (1/971) 小布丢 2015-01-18 2015-01-19 21:20:02 by mhslee
[MS] [已完结]被发光学报退稿了 (9/2382) shixiuyang 2014-09-13 2015-01-19 17:39:50 by tsglss
[MS] [已完结]请高手帮我看看怎样从这组能带数据得到它的有效质量 (7/941) zyqh 2015-01-04 2015-01-19 15:50:30 by zyqh
[MS] [已完结]建造纳米晶胞FeCuNbSiB结构 (0/208) lizaza 2015-01-19 2015-01-19 15:11:27 by lizaza
[MS] [已完结]Ms建模问题 (2/458) fq090220 2015-01-19 2015-01-19 15:10:14 by fq090220
[MS] [已完结]怎么回看material studio构建表面模型时加的vaccum厚度 (1/636) 晨燕 2015-01-19 2015-01-19 13:57:15 by zsjan
[MS] [已完结]ms中如何建立弯曲的石墨烯模型 (1/2060) yolai1015 2015-01-18 2015-01-18 18:20:43 by zhadace
[MS] [已完结]MS中怎么创建一个离子,如氯离子??新手求助。 (1/1094) 呀呀杨会苗 2015-01-15 2015-01-17 16:50:33 by 呀呀杨会苗
[MS] 晶体的各项异性问题 (24/2128) kuner 2015-01-12 2015-01-17 11:18:35 by kuner
[MS] [已完结]优化成功,但计算总是失败,求高人指点 (3/1230) wangblackfir 2015-01-15 2015-01-17 09:52:52 by guorui50000
[MS] [已完结]请问能用MS软件进行热膨胀系数、自由焓、熵等热力学参数的计算吗?    ( 1 2 3 ) (20/5281) 学员MQJm92 2012-03-29 2015-01-17 07:07:18 by Tonisam
[MS] [已完结]六方氮化硼的castep计算 (2/840) tb_4417255 2015-01-15 2015-01-16 18:53:51 by tb_4417255
[MS] [已完结]如何把Bi2Se3, Bi2Te3 空间群为166 R-3m的结构中的扭曲八面体变成正八面体    ( 1 2 ) (19/3309) dongfangyu7685 2011-06-09 2015-01-16 13:22:25 by 叶向阳
[MS] [已完结]MaterialsStudio7.1安装求助 (9/2851) hexin1982 2014-10-31 2015-01-16 12:49:53 by clizer
[MS] [已完结]castep的dynamic 计算遇到问题    ( 1 2 ) (10/1954) 小熙小7 2015-01-15 2015-01-16 10:50:17 by 小熙小7
[MS] 表面能计算,用化学势,rich poor 有什么标准吗? (3/1093) lx123ppp 2015-01-14 2015-01-16 08:11:08 by 未岸亡灵
[MS] 最简单的单胞能量都和文献不一样因为什么? (8/1136) haodalong218 2015-01-15 2015-01-16 04:08:18 by eagle0super
[MS] [已完结]初学者真诚请教 (0/438) 青青ji 2015-01-15 2015-01-15 17:03:24 by 青青ji
[MS] [已完结]在Windows XP系统上安装MS 7.0出错 (7/1030) rgzeng 2015-01-13 2015-01-15 15:44:07 by pigrass
[MS] [已完结]麻烦帮我看看是哪里的问题。 (3/479) w3863719 2015-01-13 2015-01-15 12:31:45 by 小熙小7
[MS] [已完结]forcite使用服务器问题 (0/653) 984933989 2015-01-15 2015-01-15 09:02:20 by 984933989
[MS] 拟合过过弹性模量的没?    ( 1 2 3 4 5 ) (43/4019) hwceng0816 2012-03-17 2015-01-15 07:41:25 by 小熙小7
[MS] [已完结]有人知道为什么castep算的DOS没有导带部分吗? (1/566) w3863719 2015-01-14 2015-01-14 22:08:02 by nright
[MS] [已完结]CASTEP计算的时候,程序只跑不出结果。 (2/926) 肖瑞春 2015-01-12 2015-01-14 17:11:53 by tongcc096
[MS] [已完结]domls 搜素过渡态出现input convetion error 是怎么回事? (0/246) liulijuan425 2015-01-14 2015-01-14 15:29:34 by liulijuan425
[MS] [已完结]有机大分子表面吸附 (0/205) linchongzhi 2015-01-14 2015-01-14 10:24:16 by linchongzhi
[MS] [已完结]第一性原理如何研究体系的稳定性 (4/1091) 蔷薇薇蔷 2015-01-11 2015-01-13 15:40:10 by 甲斐之虎
[MS] 利用MS或者VASP如何计算能隙    ( 1 2 ) (13/1821) girl1202 2014-09-17 2015-01-13 13:52:36 by girl1202
[MS] [已完结]求助MS中如何导入Se这种东西 (1/367) 513014736 2015-01-11 2015-01-13 11:29:27 by dx0620
[MS] [已完结][关贴]求MaterialsStudio 7.0的Linux版本的pbs提交文件脚本‏ (1/702) xiao9xie 2015-01-09 2015-01-13 10:11:48 by xiao9xie
[MS] [已完结]scripting 中的debug按钮为灰色,无法开始运行perl脚本 (6/1117) biancheng159 2014-09-21 2015-01-13 06:32:48 by upc穆宁
[MS] [已完结]关于使用MS计算有机半导体cluster模型的问题 (4/653) farfaraway08 2014-12-16 2015-01-12 13:55:20 by farfaraway08
[MS] 【求助】关于计算整体磁矩及离子磁矩 (评阅+1) (5/2125) shuai87101 2010-05-30 2015-01-10 19:01:38 by 黄河honour
[MS] [已完结]在集群上并行安装MS6.0出现问题 (4/859) 拍拍熊出隐刀 2012-10-25 2015-01-10 18:54:05 by rollyng
[MS] [已完结]关于集群网络连接的问题 (4/893) jerryeast 2012-10-25 2015-01-10 18:04:05 by rollyng
[MS] [已完结]关于total energy收敛的问题 我看有人说要收敛到10meV (5/1045) 逗逗o小爱 2015-01-09 2015-01-10 17:32:54 by 逗逗o小爱
[MS] [已完结]为啥我装上MS之后,不能显示球棍模型    ( 1 2 ) (15/3893) sunshaoni 2013-01-23 2015-01-10 14:22:41 by fantasylly
[MS] [已完结]如果可以设置MS7.0所在用户提交任务的优先级别 (0/402) youyno 2015-01-10 2015-01-10 09:48:58 by youyno
[MS] [已完结]替换原胞内金属阳离子的等价位置判断,求助! (3/852) chriswei1 2015-01-08 2015-01-09 22:50:57 by chriswei1
[MS] [已完结]MS6.0里面怎么计算晶体分子中的电场梯度张量(EFG) (1/629) super未央 2015-01-08 2015-01-09 11:45:11 by super未央
[MS] 【求助】CASTEP计算介电常数公式中的一个疑问 (8/3337) mazuju028 2010-04-26 2015-01-08 18:34:10 by 西北偏北1092
[MS] [已完结]在linux上安装MS出现了ERROR 不能与主机进行连接了,没办法进行下一步了。 (3/524) 咏松1991 2015-01-05 2015-01-08 18:03:21 by 咏松1991
[MS] [已完结]SER structures (0/196) 千里千寻373 2015-01-08 2015-01-08 16:10:55 by 千里千寻373
[MS] [已完结]NiO能带计算 (1/1389) nearfuture 2015-01-07 2015-01-08 13:57:32 by 初之
[MS] [已完结]castep里面的各个参数对金属晶体能量的影响!原理! (0/526) 千里千寻373 2015-01-08 2015-01-08 10:20:44 by 千里千寻373
[MS] [已完结]材料晶格長度c/a、b/a及體積與壓力效應之關係 (2/553) ilovepocket2 2015-01-07 2015-01-07 21:24:56 by ljw4010
[MS] [已完结]GGA+U 的计算设置,疑问求答! (1/1239) dantor321 2013-11-22 2015-01-07 12:12:05 by 初之
[MS] [已完结]如何构建褶皱石墨烯 (0/643) 星期五的天气 2015-01-07 2015-01-07 10:48:12 by 星期五的天气
[MS] [已完结]请教怎么用MS构建一个金属配合物的晶体结构,金币不是问题!    ( 1 2 ) (13/2416) gzg 2012-01-10 2015-01-07 06:52:55 by 085536
[MS] [已完结]请问beta-cristobalite的msi文件去哪里下载? (0/247) lastzealot 2015-01-07 2015-01-07 00:20:14 by lastzealot
[MS] [已完结]新手求助。MS运行DPD模块的时候出现错误 (4/830) pielang 2013-07-13 2015-01-06 11:18:42 by fangdian
[MS] [已完结]MS castep计算后怎么出现α和β的能带结构和态密度    ( 1 2 ) (10/3205) 初之 2014-12-31 2015-01-06 10:49:20 by 初之
[MS] 同样的标准来优化可是反铁磁次一直不收敛该怎么办?    ( 1 2 ) (18/1565) 513014736 2015-01-03 2015-01-06 08:47:44 by 513014736
[MS] [已完结]dmol3中如何获得配分函数 (3/979) grape_0805 2015-01-04 2015-01-05 22:37:33 by 卡开发发
[MS] [已完结]在线求Fe单质BCC的能量单位ev (0/397) guorui50000 2015-01-05 2015-01-05 21:02:26 by guorui50000
[MS] [已完结]急求,linux版的MS(一定要有castep模块啊),感谢感谢! (1/301) haodalong218 2015-01-04 2015-01-05 10:04:26 by haodalong218
[MS] [已完结]求V2O5的原子坐标, (1/365) longyong18 2012-07-10 2015-01-05 07:30:01 by guobinwang
[MS] [已完结]V2O5纳米管的模型 (1/384) pipedream08 2014-04-02 2015-01-05 07:00:22 by guobinwang
[MS] [已完结]关于费米面的几个基础问题 (0/1225) 小韧1 2015-01-04 2015-01-04 18:34:55 by 小韧1
[MS] [已完结]求最小位移模型计算物质晶格振动能资料 (3/856) 西溪故人 2014-03-16 2015-01-04 16:19:46 by 593287382
[MS] [已完结]求助碳管计算带隙与光学吸收谱问题    ( 1 2 3 ) (25/2484) 11091113 2013-06-27 2015-01-04 08:07:42 by infrared123
[MS] 【求助】如何通过能带计算电子和空穴的有效质量 (7/3741) chunying 2010-09-27 2015-01-04 06:34:40 by Tonisam
[MS] [已完结]环氧在MS里怎么建模? (0/616) stonezhoujun 2015-01-03 2015-01-03 23:47:56 by stonezhoujun
[MS] [已完结]计算能带k点设置参数相同结果所得k点却不一样,如图,求指导 (3/1431) Kaysemi 2015-01-02 2015-01-03 23:17:14 by Kaysemi
[MS] [已完结]大家有没有用声子谱计算热动力学性质的呢,有相关软件的宠友给介绍下八,谢啦 (3/457) clown9111014 2014-12-30 2015-01-03 22:31:01 by zyl雨田
[MS] [已完结]求助如何计算 (0/276) woxiaojian 2015-01-03 2015-01-03 22:10:19 by woxiaojian
[MS] [已完结]求助MS中频率计算交作业出错的问题 (0/519) socool_82 2015-01-03 2015-01-03 10:12:23 by socool_82
[MS] [已完结]泊松比居然有6个值? (9/2342) ym23 2014-12-29 2015-01-02 14:36:00 by xxjiang
[MS] [已完结]BaSnO3怎么建模 (1/598) weichin 2014-12-29 2015-01-01 09:15:23 by cenwanglai
[MS] Gd优化参数,稀土怎么调参数,收敛! (3/688) lx123ppp 2014-06-08 2014-12-31 17:31:44 by Mr_WuSH
[MS] 各位大神帮忙看看这是啥问题? (0/1289) 657151057 2014-12-31 2014-12-31 13:37:43 by 657151057
[MS] [已完结]关于castep计算导带底和价带顶三个主轴方向上的有效质量!(还请版主置顶啊)    ( 1 2 ) (1ST强帖+1)(17/8261) suifengwxj 2012-04-14 2014-12-31 09:09:46 by zyqh
[MS] 【求助】建立只含一个原子的晶包做计算总是出错?    ( 1 2 ) (11/2657) freshman8185 2011-02-27 2014-12-31 06:57:45 by Sleepybird
[MS] [已完结]优化完再算,谁能帮忙看看哪里出现错误了? (7/1287) wangblackfir 2014-12-27 2014-12-30 23:12:56 by wangblackfir
[MS] [已完结]大家有没有用声子谱计算热动力学性质的呢,有相关软件的虫友给介绍下八,谢啦,谢啦 (0/352) clown9111014 2014-12-30 2014-12-30 20:15:53 by clown9111014
[MS] [已完结]Castep和Dmol3计算Feimi energy相关的文献和模拟过程(参数)介绍 (0/270) hanpeng972 2014-12-30 2014-12-30 19:46:25 by hanpeng972
[MS] [已完结]需要计算金属材料的能量,谁帮帮忙吧?本人菜鸟从没接触过计算模拟这类软件 (0/240) 小蟒Andy 2014-12-30 2014-12-30 16:38:52 by 小蟒Andy
[MS] [已完结]MS如何找寻中间产物 (8/1268) starrywang 2014-12-26 2014-12-30 12:30:12 by farfaraway08
[MS] 用castep 计算非周期体系 (5/1588) fuvbaby 2014-12-26 2014-12-30 12:23:03 by fuvbaby
[MS] [关贴]有懂反铁磁性的高手没? (MS中的CASTEP程序的运用) (4/981) pcczhouwei 2014-12-09 2014-12-30 00:13:48 by pcczhouwei
[MS] [已完结]大家帮我找一下TiNiSi转变为Ni2In结构的理论知识 (0/211) wuwenbin0714 2014-12-29 2014-12-29 21:07:18 by wuwenbin0714
[MS] Castep 计算晶体磁矩,如何设置晶体的磁性··· (1/1017) 123321xmc 2014-12-29 2014-12-29 20:34:51 by 核桃芝麻
[MS] [已完结]请教高手 (4/562) zhangminping 2014-12-26 2014-12-29 19:31:05 by zhangminping
[MS] LDA真的这么差劲,拒稿了    ( 1 2 3 ) (28/2687) greatcake 2014-10-23 2014-12-29 18:40:26 by 以诚相待
[MS] [已完结]castep计算声子谱求助 (0/514) 657151057 2014-12-29 2014-12-29 17:18:29 by 657151057
[MS] [已完结]LSMO晶格结构数据谁有啊 或者有建好的结构也可以哈 (0/379) 筱冰影 2014-12-29 2014-12-29 13:02:28 by 筱冰影
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