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[热点] 遇见不省心的家人很难过 otani 2026-02-09 刚刚
[MS] MS如何算Fe3O4? (0/458) 344526558 2012-06-08 2012-06-08 15:00:11 by 344526558
[MS] [已完结]求助CdNb2O6晶体结构数据 (0/316) lilingdong 2012-06-08 2012-06-08 11:35:44 by lilingdong
[MS] [已完结]高手帮忙看看我CASTEP计算时出现的问题 (0/313) zrm000 2012-06-08 2012-06-08 10:36:09 by zrm000
[MS] [已完结]如何计算未占据态 (2/918) dujunhui 2012-06-01 2012-06-08 08:49:27 by dujunhui
[MS] [已完结][关贴]有关极性的讨论 (2/303) 李佳佳佳 2012-05-30 2012-06-08 08:31:17 by 李佳佳佳
[MS] [已完结]资源 (1/302) 王璇wangxuan 2012-06-07 2012-06-07 23:26:16 by youzhizhe
[MS] MS结构优化时的选项 (0/508) slogger 2012-06-07 2012-06-07 19:40:08 by slogger
[MS] [已完结]Forcite动力学计算达不到平衡 (0/816) pumf 2012-06-07 2012-06-07 16:12:43 by pumf
[MS] [已完结]有办法调节doml计算UV时计算的波长范围吗? (2/299) jiewei 2012-06-06 2012-06-07 15:49:15 by jiewei
[MS] [已完结]立方晶系各向异性系数A讨论 (2/1501) hwceng0816 2012-06-07 2012-06-07 15:37:04 by hwceng0816
[MS] [已完结]Castep计算优化出现错误,不知是何原因 (7/1516) Montton 2012-05-28 2012-06-07 14:23:32 by 晓阳轻轻
[MS] [已完结]解读势能面、HOMO以及LUMO轨道 (5/1492) WJ-MS 2012-06-04 2012-06-07 13:38:30 by WJ-MS
[MS] [已完结]MS建模问题……呜呜……急死我了    ( 1 2 ) (12/2286) damihu2011 2012-03-30 2012-06-07 12:25:21 by damihu2011
[MS] [已完结]看看大做第一性原理都是做哪些方面的 (0/233) hwceng0816 2012-06-06 2012-06-06 22:24:14 by hwceng0816
[MS] 想与大家交流下MS软件的使用情况,比如画八面体或四面体结构图 (5/3231) navolo 2012-06-05 2012-06-06 18:07:10 by navolo
[MS] 第一性原理计算发文章    ( 1 2 3 ) (20/4223) hwceng0816 2012-04-11 2012-06-06 15:27:41 by franch
[MS] [已完结]如何计算空位形成能,缺陷形成能,溶解能等 (1/4953) xx4751 2012-06-06 2012-06-06 11:59:13 by xueht987
[MS] [已完结]castep 计算分波态密度求和不等于总态密度 (3/792) kuiziyang 2012-06-05 2012-06-06 11:27:22 by 贺仪
[MS] [已完结]S掺杂的石墨计算,前后不一致? (0/415) qi-cheng 2012-06-06 2012-06-06 10:26:16 by qi-cheng
[MS] [已完结]Dmol3 搜索过渡态失败 (0/682) WJ-MS 2012-06-06 2012-06-06 09:37:19 by WJ-MS
[MS] [已完结]dmol dynamic计算后构型的单点能计算不收敛 (4/927) houfeifan 2012-06-03 2012-06-05 19:17:06 by 安德
[MS] [已完结]求MS4.0或MS5.0均可!谢谢 (2/290) LuPeng5366 2012-06-05 2012-06-05 17:36:44 by qiqi2926
[MS] [已完结]MS的哪个模块能计算缺陷红外吸收的局域振动模(LVM)? (0/323) silikiwi 2012-06-05 2012-06-05 13:23:56 by silikiwi
[MS] [已完结]关于差分电子密度图中成键情况及相互作用的分析 (9/2615) silikiwi 2012-03-30 2012-06-05 12:31:18 by 晓阳轻轻
[MS] [已完结]Atomic Populations    ( 1 2 ) (13/1624) currentyoungman 2011-07-15 2012-06-05 12:20:59 by w2056275
[MS] [已完结]CASTEP中关于F元素的晶体能量 (0/460) wzfenghun 2012-06-05 2012-06-05 10:42:39 by wzfenghun
[MS] 关于smearing的作用的图解 (0/675) zhangdy 2012-06-05 2012-06-05 09:47:28 by zhangdy
[MS] [已完结]请问用CASTEP计算出的吸附能为1~3 eV(>0),是什么原因造成的? (0/743) zrm000 2012-06-05 2012-06-05 09:05:32 by zrm000
[MS] [已完结]CASTEP计算精度低是不是意味着要被拒稿? (9/1292) hwceng0816 2012-06-02 2012-06-05 08:56:51 by liliangfang
[MS] [已完结]dynamic过程的布居分析 (0/248) houfeifan 2012-06-05 2012-06-05 07:35:23 by houfeifan
[MS] [已完结]MS打开license出现问题 (6/755) mirror27 2012-06-02 2012-06-04 19:56:53 by mirror27
[MS] 求教MS导入XRD数据转化? (3/1009) wgj501 2011-05-01 2012-06-04 19:45:25 by llvv
[MS] [已完结]CASTEP计算光学性质 (3/1113) fyh987 2012-06-04 2012-06-04 19:07:03 by fyh987
[MS] 【求助】reflex导入实验数据 (2/889) l07455 2010-10-29 2012-06-04 12:16:18 by lehai1010
[MS] [已完结]体模量的问题    ( 1 2 ) (评阅-20) (10/1794) 牛皮糖耶 2012-06-03 2012-06-04 10:10:19 by 牛振威
[MS] 请问如何计算不同温度下的声子态密度 (2/991) fenyaowang 2012-05-31 2012-06-04 09:27:48 by fenyaowang
[MS] 第一性原理投稿前精度有点低怎么办? (评阅-20) (15/1684) hwceng0816 2012-06-02 2012-06-03 17:09:05 by calos818
[MS] 【求助】MS的gateway(网关)到底是起什么作用的。    ( 1 2 3 ) (20/2738) liweiaudi 2010-04-01 2012-06-03 12:04:12 by lorna639
[MS] [已完结]MS中bond的疑惑 (3/1143) xiaoluoj 2012-06-01 2012-06-03 10:28:48 by longwangye
[MS] MS5.5安装 (3/449) hwceng0816 2012-02-19 2012-06-03 08:18:13 by lorna639
[MS] [已完结]问问哥哥姐姐们关于催化剂建模的一点问题    ( 1 2 ) (16/1368) 青青97 2012-05-31 2012-06-02 23:10:48 by 贺仪
[MS] [已完结]castap (6/1601) USTC_STM 2012-05-31 2012-06-02 20:09:54 by USTC_STM
[MS] [已完结]高压下第一性原理计算文章投MSEA怎么样? (5/959) hwceng0816 2012-05-31 2012-06-02 19:54:53 by 雁儿霏霏
[MS] [已完结][求助] 要做MS计算,组里边有6-8万的预算,帮忙推荐个配置吧。 (6/1402) yefeixjtu 2012-03-16 2012-06-02 15:05:37 by tequila2008
[MS] [已完结]castep固定体积几何优化 (2/616) zhuzhudgyg 2012-06-01 2012-06-02 08:36:02 by zhuzhudgyg
[MS] [已完结]oC8,晶体结构 (0/344) superstat54 2012-06-01 2012-06-01 21:14:22 by superstat54
[MS] [已完结]怎样切得矩形的Fe(110)表面 (2/500) tymnj 2012-05-31 2012-06-01 17:44:41 by tymnj
[MS] MS优化的结果中怎样查看两个键之间的夹角 (9/1306) leon11012 2012-02-27 2012-06-01 16:20:25 by xx4751
[MS] 【求助】MS结构优化分析与结构图 (6/2310) 眉峰 2010-08-22 2012-06-01 16:16:26 by xx4751
[MS] [已完结]服务器意外断电后发现castep计算速度明显变慢,求原因? (0/435) wuguohao111 2012-06-01 2012-06-01 10:41:12 by wuguohao111
[MS] 【求助】Material studio 中的原子是否可以设置为半透明? (4/5033) huijiany 2010-12-08 2012-06-01 07:49:07 by wangyujia
[MS] 有虫友用DFTB+吗? (1/390) love5264 2012-05-30 2012-06-01 06:22:18 by ChemiAndy
[MS] [已完结]MS计算结果中电荷布局如何具体分析,(已搜索没找到需要的本质问题) (2/591) guolianshun 2011-09-11 2012-05-31 18:47:09 by wuguohao111
[MS] [已完结]LDA+U和GGA+U问题 (7/1495) fyh987 2012-05-29 2012-05-31 18:45:00 by fyh987
[MS] ms算声子谱(态密度)不光滑 (4/1761) fenyaowang 2012-05-30 2012-05-31 15:28:48 by souledge
[MS] [已完结]MS5.5中DMol3中读不出分子轨道 (2/632) yhpan 2012-04-13 2012-05-31 15:11:27 by yhpan
[MS] [已完结]表面弛豫优化结果表明d值没有变化 (2/355) yourne 2012-05-27 2012-05-31 12:15:51 by yourne
[MS] [已完结]求助一维周期性的设定 (2/512) flymice 2012-05-27 2012-05-31 11:14:28 by ym23
[MS] [已完结]利用MS建立石墨烯纳米带后如何进行计算 (2/2887) 来去无风6988 2012-05-30 2012-05-31 09:41:10 by 来去无风6988
[MS] [已完结]分子动力学 (2/323) WJ-MS 2012-05-29 2012-05-30 20:41:51 by WJ-MS
[MS] 收敛问题 (1/797) slogger 2012-05-30 2012-05-30 19:38:41 by sunboyccc
[MS] [已完结]分子动力学计算 (0/572) shui449 2012-05-30 2012-05-30 17:41:47 by shui449
[MS] [已完结]如何用MS计算O2分子基态能量,O-O键能,MO分布? (8/2590) rainxin2008 2012-05-29 2012-05-30 11:08:52 by rainxin2008
[MS] [已完结]前辈们,对硅酸三钙晶体怎么进行MS建模? (0/523) jinlong8937 2012-05-30 2012-05-30 10:02:49 by jinlong8937
[MS] [已完结]MS中怎么画单层原子分开的图 (4/1593) youzhiren 2012-05-29 2012-05-30 08:45:08 by sunboyccc
[MS] [已完结]无法运行计算 (3/391) xiexh439 2012-05-14 2012-05-30 08:42:57 by xiexh439
[MS] [已完结]前线轨道能量 (1/853) WJ-MS 2012-05-29 2012-05-29 23:16:16 by uuv2010
[MS] [已完结]castep (1/266) hanqingyan 2012-05-29 2012-05-29 23:06:12 by uuv2010
[MS] [已完结]请问物理吸附和化学吸附形成能的范围是多少? (2/3965) jhniu8233 2012-05-27 2012-05-29 21:32:24 by hanqingyan
[MS] [已完结]server console中新建一个server gateway (4/564) xuduopeter 2012-05-26 2012-05-29 20:55:11 by k_now
[MS] [已完结]用castep计算声子谱错误 (1/2018) zhdear 2011-11-28 2012-05-29 07:41:56 by qufairy2008
[MS] 关于MS集群组建过程中网卡相关的问题总结 (评阅+10) (1ST强帖+1)(2/581) lbambool 2012-01-17 2012-05-29 03:24:00 by cenwanglai
[MS] [已完结]Cr5O12 的晶体结构构造 (0/879) cwqfei 2012-05-28 2012-05-28 14:55:31 by cwqfei
[MS] [已完结]求FePt的结构 (2/311) luoyanfeng 2012-05-26 2012-05-28 11:48:14 by luoyanfeng
[MS] 如何建模 (5/485) lorna639 2012-05-26 2012-05-28 10:47:28 by xylz6188
[MS] [已完结]Mulliken Hirshfeld分析电荷转移 (3/3303) scq123 2012-05-28 2012-05-28 10:29:15 by huangll99
[MS] [已完结]急求:在castep中掺杂新的原子后,为什么化学键还是显示的是原有原子之间的化学键? (1/406) yqkwww 2012-05-28 2012-05-28 09:05:31 by huangll99
[MS] [已完结]急问MS4.0可以算金属的声子吗    ( 1 2 ) (11/965) zhuzhudgyg 2012-05-08 2012-05-27 14:10:00 by xueht987
[MS] [已完结]计算过程出现错误,望解答。。。 (0/343) gouziguai945 2012-05-26 2012-05-26 13:21:16 by gouziguai945
[MS] [已完结]MS计算 CPU没有使用 (6/1068) wydzyx2003 2011-08-28 2012-05-26 05:51:58 by s20080718
[MS] [已完结]拒绝的权限 (4/376) gy850501 2012-05-25 2012-05-25 23:23:51 by gy850501
[MS] castep计算完后如何确定哪条能级是什么电子构成的 (6/1215) wuguohao111 2012-05-25 2012-05-25 20:33:40 by dxcharlary
[MS] 论坛里面没有关于castep z中orbitals有什么用,如何分析的帖子,希望大家过来讨论一下 (4/1309) wuguohao111 2012-05-25 2012-05-25 20:26:58 by dxcharlary
[MS] [已完结]求助关于单斜型WO3活性表面的问题 (2/369) leachmond 2012-05-24 2012-05-25 09:27:01 by 吕洁丽霞
[MS] [已完结]相同条件,从50步变成1000步,吸附能不同 (3/334) billly6 2012-05-24 2012-05-25 09:06:24 by billly6
[MS] 【求助】MS linux 安装出现问题,提示:Failed to find folder %LP_LOCATION%. (5/1744) fangyongxinxi 2011-02-02 2012-05-25 07:36:01 by fangyongxinxi
[MS] [已完结]Blends计算结果差异大 (1/399) 水月笼沙 2012-05-24 2012-05-24 22:19:24 by 水月笼沙
[MS] [已完结]MS软件中的图片能够导入到origin吗? (4/1231) 学员MQJm92 2012-05-23 2012-05-24 22:15:07 by xueht987
[MS] [已完结]求助MS中Dmol3模块能计算的数据有哪些? (3/958) 晶晶(辉县) 2012-05-17 2012-05-24 20:44:26 by 晶晶(辉县)
[MS] 【求助】哪位大侠用过onetep计算几何优化? (4/1042) bhcsmay 2010-10-25 2012-05-24 19:15:47 by wangqunqun33
[MS] 【求助】画声子谱 (6/1233) newton3915 2010-11-20 2012-05-24 17:01:32 by 乐石||
[MS] [已完结]MS起初运行时就出错,而且不管运行什么都是,会不会是安装的问题啊? (6/1501) 604179362 2011-06-21 2012-05-24 12:06:43 by 986663916
[MS] [已完结]求助用MS计算声子谱出错的问题    ( 1 2 ) (15/3017) yujia1983 2012-04-13 2012-05-24 10:19:28 by njuedu007
[MS] [已完结]关于Core level spectroscopy的计算和分析    ( 1 2 ) (12/1852) 张强小虫 2012-04-12 2012-05-24 09:39:47 by huhuanwubian
[MS] [已完结]DMol3 出错 (2/436) baoyuan6969 2011-06-07 2012-05-24 06:21:19 by qi-cheng
[MS] [已完结]castep 计算中出现问题,求高手帮助! (0/354) kattygirl 2012-05-23 2012-05-23 21:12:20 by kattygirl
[MS] ICSD晶体结构数据的晶胞和文献上的不一样 (9/1672) hwceng0816 2012-05-19 2012-05-23 17:11:59 by njut
[MS] 求助 态密度分析赝带隙 (评阅-5) (2/1311) hwceng0816 2012-05-19 2012-05-23 16:06:52 by Gubil
[MS] [已完结]DOS 图 请大侠指教啊! (3/545) 931938112 2012-05-23 2012-05-23 12:48:43 by shmilylxc
[MS] [已完结]求Al-Zn-Mg-Cu-Zr合金的数据库或求计算相图 (3/1620) lucjan428 2012-05-03 2012-05-22 17:09:27 by yuwenxianglong
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