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[热点] JMPT 期刊投稿流程 JOJO路 2025-12-14 刚刚
[MS] 【求助】紧急求助!!MS设置任务后无法运行 (5/689) wholelife 2010-04-28 2010-04-28 18:04:33 by zzy870720z
[MS] 【求助】在ms中模拟出的晶体的各个元素的晶格常数怎么确定 (评阅+1) (7/3428) 361997417 2010-04-26 2010-04-28 17:13:44 by souledge
[MS] 【求助】MS无法启动Gateway无法正常运行 (1/1739) shangjing 2010-04-28 2010-04-28 16:42:26 by zzy870720z
[MS] 【求助】Geometry optimization,结构竟然没变,求原因    ( 1 2 ) (15/1824) franch 2010-04-19 2010-04-28 16:29:03 by franch
[MS] 【求助】MS中动力学之后水分子个数问题 (5/1826) shengxiang 2010-04-27 2010-04-28 16:24:35 by goldenfisher
[Abinit] 【求助】Abinit计算中的问题 (8/1377) qiwei505 2010-04-27 2010-04-28 15:45:19 by fzx2008
[MS] 【求助】Castep能做什么? (3/825) tttl060 2010-04-27 2010-04-28 12:20:04 by souledge
[MS] 【求助】初学MS遇到下面这个问题怎么解决    ( 1 2 ) (18/2865) zgt2007 2010-04-17 2010-04-28 11:52:03 by zgt2007
[MS] 【求助】用ms计算两个分子的相互作用势    ( 1 2 3 ) (20/3905) zouhui1115 2010-04-20 2010-04-28 10:35:03 by zouhui1115
[Abinit] [关贴]【求助】有关使用Abinit能带计算的一些疑问 (0/567) qiwei505 2010-04-28 2010-04-28 10:05:44 by qiwei505
[MS] 【求助】请问MS可以算分子的光学性质吗 (4/940) qscao 2010-04-19 2010-04-28 09:31:19 by qscao
[MS] 【求助】MPI并行出错,急啊~~ (1/400) shengfengyu 2010-04-27 2010-04-28 09:17:41 by shengfengyu
[MS] 【求助】关于castep中的分波态密度 (7/2229) wydzyx2003 2010-04-25 2010-04-28 08:44:02 by zyg3395
[其他] 【求助】初学者求助: 紧束缚方法计算能带结构 (5/2351) oliver486 2010-04-27 2010-04-28 05:33:41 by 夕阳西下
[MS] 【求助】计算掺杂的GaN态密度时失败 (2/672) lynarcissusly 2010-04-27 2010-04-27 23:37:13 by yindeqiang
[MS] 【求助】吸收边与光学带隙 (2/5644) 2008210014 2010-04-27 2010-04-27 23:19:23 by goldenfisher
[其他] 【求助】PDOS作图 (2/887) B.C.Wang 2010-04-27 2010-04-27 22:19:06 by zengxiangm
[MS] 【求助】态密度 单位 (2/1329) 天天人间 2010-01-20 2010-04-27 20:06:41 by 天天人间
[MS] 【求助】如何用第一性原理计算固体的内在应力性质及如何分析 (2/436) 天天人间 2010-03-29 2010-04-27 20:05:48 by 天天人间
[其他] 【求助】windows 激活 (1/347) 我是七夜 2010-04-27 2010-04-27 19:58:45 by weixuesong
[Abinit] 【求助】求ABINIT中的PAW赝势文件 (6/1600) qiwei505 2010-04-27 2010-04-27 19:21:24 by fzx2008
[MS] 【求助】如何做径向分布函数 (3/1196) wangguorui 2009-07-13 2010-04-27 18:07:48 by 南方有嘉木
[MS] 【求助】求助 (金币≥10)(5/74) pfyin 2010-04-25 2010-04-27 17:10:32 by yawen0215
[Abinit] 【求助】求助 (2/327) 李艳慧 2010-04-26 2010-04-27 10:48:19 by 李艳慧
[Vasp&Me ] 【求助】4f电子体系考虑旋轨耦合的态密度图 (4/1535) emily6526 2010-04-21 2010-04-27 09:50:55 by deadbook
[其他] 【求助】请问哪种方法的模拟结果更加可信? (8/1797) 天下为公5592 2010-04-26 2010-04-27 09:20:21 by carlaty
[MS] 【求助】Discover运行出错 (9/741) fu19871111 2010-04-22 2010-04-27 08:51:34 by fu19871111
[Vasp&Me ] 【原创】不同操作系统下的各编译器编译的程序效率 (评阅+3) (3/555) digghost 2010-04-17 2010-04-26 23:14:18 by tjyl
[MS] 【求助】为什么我没有办法进行晶体DMol3的优化 我是初学者 (7/1349) 睡觉的猫 2010-04-26 2010-04-26 21:18:34 by 睡觉的猫
[Vasp&Me ] 【求助】如何选取合适的ISMEAR (6/1565) nkleof 2010-04-26 2010-04-26 17:38:50 by nkleof
【求助】掺杂的第一性原理计算 (1/364) 薛金祥 2010-04-26 2010-04-26 17:24:15 by goldenfisher
[MS] 【求助】dmol3研究团簇 (2/446) number1xu 2010-03-12 2010-04-26 15:17:15 by lwei7336
[MS] 【求助】MS怎么计算团簇的光谱 (1/418) shengfengyu 2010-04-26 2010-04-26 13:45:55 by yjmaxpayne
[Vasp&Me ] 【求助】vasp计算实例 (评阅-2) (4/929) 七龙珠 2010-04-26 2010-04-26 12:42:39 by pengfei9559
[Vasp&Me ] 【求助】MAGMOM 电场设置求助 (3/891) 小小金书签 2009-07-05 2010-04-26 09:43:14 by nkleof
[MS] 【求助】高手帮我分析一下以下的态密度图,急,急急 (7/1745) mh2003szy 2010-04-24 2010-04-26 08:32:52 by mh2003szy
[Vasp&Me ] 【求助】为什么vasp运行时cpu使用率很不均衡? (9/2169) tubaxu 2010-04-21 2010-04-26 01:09:36 by tubaxu
[MS] 【求助成功】打开MS出错    ( 1 2 3 ) (22/1712) fu19871111 2010-04-21 2010-04-26 00:03:38 by fu19871111
[MS] 【求助】求助我的getway为嘛老是出错呢 (3/375) NUPT 2010-04-24 2010-04-25 20:53:51 by awmc2008
[Abinit] 【求助】HOMO 和LUMO之间的差值问题 (5/1390) ndxiaoxiao 2010-04-20 2010-04-25 18:07:35 by ndxiaoxiao
[Vasp&Me ] 【求助】大家有没遇到加于不加磁性优化结果相差很大 (6/1156) zhang668 2010-04-24 2010-04-25 16:01:47 by zhang668
[Vasp&Me ] 【求助】VASP如何实现只变C轴的结构优化? (6/1809) keitapsp 2010-04-25 2010-04-25 15:52:54 by zdd2008
[MS] 【求助】怎么找最高占有轨道?在线急等! (1/339) cheeka 2010-04-25 2010-04-25 14:48:04 by franch
[MS] 【求助】linux下安装ms4.4 出现以下问题    ( 1 2 ) (10/1362) yy08 2010-04-14 2010-04-25 10:52:48 by bluewhale
[MS] 【求助】MS下怎么看键角大小 (4/1826) zhang668 2010-04-24 2010-04-25 09:55:46 by qinyuan1598
[Vasp&Me ] 【求助】计算能带时ISMEAR要怎么设? (3/1979) keitapsp 2010-04-24 2010-04-25 01:33:32 by keitapsp
[热点前沿 ] [关贴]【求助】期刊编辑 (1/263) sss3012 2010-04-24 2010-04-24 23:48:26 by woshilaoer8381
[MS] 【求助】在MS中怎么样进行有条件的动力学模拟 (0/162) zhangguangping 2010-04-24 2010-04-24 23:02:48 by zhangguangping
[MS] 【求助】请大家帮我看看用于第一原理机器的配置 (3/795) kpsong 2010-04-24 2010-04-24 21:50:07 by cationly
[Siesta& ] 【求助】atk中the chiral vector的问题 (0/188) fan159 2010-04-24 2010-04-24 18:11:42 by fan159
[MS] 【求助】自己编程在MCM-41中插入N原子,然后添氢 (1/171) zyj8119 2010-04-24 2010-04-24 17:50:10 by zyj8119
[Siesta& ] 【求助】siesta输入文件错误,昨晚到现在没有弄好,请求帮助 (7/1565) minmin_0082003 2009-12-01 2010-04-24 16:07:24 by fengshiquan
[Vasp&Me ] 【求助】关于计算物质表面磁性 (4/492) mingyan988 2010-04-17 2010-04-24 14:23:44 by wangyujia
[Siesta& ] 【求助】ATK的license 19 (2/657) 夕阳西下 2010-04-23 2010-04-24 13:36:47 by 夕阳西下
[Vasp&Me ] 【求助】做状态方程计算时候得到的EtVo.dat是空的 (9/1233) zhang668 2010-04-23 2010-04-24 13:11:28 by 经世济民
[MS] 【求助】Al-Mg金属间化合物 (3/904) qx0813 2010-04-23 2010-04-24 12:04:30 by souledge
[其他] 【转】小木虫论坛继续加强专业版发展!金币改进奖励方案试行~ (评阅+5) (1/222) aylayl08 2010-04-24 2010-04-24 09:15:19 by aylayl08
[Siesta& ] 【求助】ORDERN算法 (3/689) xh512 2010-04-23 2010-04-24 08:16:21 by 锐利的碎片
[Siesta& ] 【求助】六元杂环分子的透射系数问题    ( 1 2 ) (13/1428) wangrenni 2010-04-14 2010-04-23 22:59:15 by wei.ji
[MS] 【求助】请教镍合金材料计算的高手!!!! (2/223) liang7035 2010-04-23 2010-04-23 21:52:17 by liang7035
[MS] 【求助】体相 表面的计算精度问题 (1/235) 宏hong 2010-04-23 2010-04-23 21:51:37 by franch
[MS] 【求助】castep结构优化运行很慢 (4/1827) dzhijie 2010-04-22 2010-04-23 21:11:29 by Hector8275
[Abinit] [关贴]【求助】(问题已解决)请问如何在sun cluster集群上装abinit? (0/262) casjxm 2010-04-23 2010-04-23 21:07:30 by casjxm
[MS] 【求助】discover模块里的力场怎么选择 能否自己编辑 (4/1100) skyggyy 2010-04-22 2010-04-23 21:05:22 by jiabuda
[MS] 【求助】想用Dmol3,可没有版权? (5/1643) yxcai 2009-09-09 2010-04-23 16:57:59 by enola
[MS] 【求助】如何用场的方式显示电子轨道 (0/295) fangyongxinxi 2010-04-23 2010-04-23 16:50:20 by fangyongxinxi
[Vasp&Me ] 【求助】VASP计算出错,求解! (0/588) jglee646 2010-04-23 2010-04-23 13:27:16 by jglee646
[Vasp&Me ] 【求助】Makefile.sun分析 (2/283) guifan 2010-04-22 2010-04-23 10:52:57 by guifan
[其他] 【求助】求助InFeO3晶体结构 (4/417) niuli 2010-04-22 2010-04-23 10:16:08 by niuli
[MS] 【求助】三维声子谱 (1/414) newton3915 2010-04-23 2010-04-23 10:10:29 by gavinliu7390
[MS] 【求助】spin的单位 (6/1221) coy123 2010-04-19 2010-04-23 07:53:56 by 空壳
[MS] 【求助】dmol3的结果怎么拟合力场? (8/1234) zyj8119 2010-04-12 2010-04-23 02:12:34 by qzhaosdu
[MS] 【求助】MS 动力学discover模拟CNT塌陷 (0/313) bbboymyh 2010-04-22 2010-04-22 23:20:24 by bbboymyh
[Abinit] 【求助】编译错误 (4/561) 子虚乌有5388 2010-04-22 2010-04-22 22:47:26 by 子虚乌有5388
[MS] 【求助】如何利用MS优化高聚物分子链构象 (4/642) 我思固我在 2010-02-10 2010-04-22 22:23:35 by 水之源
[MS] 【讨论】Dmol中能量单位Ha与eV的换算关系是怎么回事儿 (6/12068) xiaosi8758 2009-08-12 2010-04-22 22:08:29 by g_xq96
[MS] 【求助】material studio4.4的license问题 (1/365) freshman8185 2010-04-13 2010-04-22 22:08:28 by 水之源
[Vasp&Me ] 【求助】vasp计算出错 (4/915) yueya9113 2010-04-22 2010-04-22 21:02:04 by yueya9113
[Vasp&Me ] 【求助】求mordenite分子筛结构,最好是cif文件给我! (0/219) qkzh3091 2010-04-22 2010-04-22 19:47:45 by qkzh3091
[MS] 【求助】MS无法计算 (4/836) 薛金祥 2010-04-21 2010-04-22 17:31:59 by 薛金祥
[Siesta& ] 【求助】siesta的能量到底读哪个 (2/725) minmin_0082003 2009-12-09 2010-04-22 15:57:19 by fengshiquan
[Wien2k& ] 【求助】关于mini.positions请教.... (9/783) 空壳 2010-04-19 2010-04-22 15:27:04 by 空壳
[MS] 【求助】建模问题    ( 1 2 ) (10/784) vera260204 2010-04-19 2010-04-22 14:39:53 by shrek826
[MS] 【求助】怎么求溶液密度 (1/473) fcfifa2002 2010-04-21 2010-04-22 14:37:48 by fcfifa2002
[MS] 【求助】求ms5.0for windows 能用的lic (4/606) newton3915 2010-04-21 2010-04-22 13:09:00 by xianggui7895
[MS] 【求助】Materials-studio 4.4问题 (4/1028) wangyb4142 2010-04-21 2010-04-22 13:03:40 by xianggui7895
[MS] 【其他】materials studio运行时说license过期? (1/882) lovemydog 2010-04-22 2010-04-22 12:49:50 by lovemydog
[其他] 【求助】CdSe结构 (0/550) superguy 2010-04-22 2010-04-22 11:46:03 by superguy
[热点前沿 ] 【原创】本版新增“热点前沿问题讨论”子板    ( 1 2 ) (12/1127) wuli8 2010-01-16 2010-04-22 11:36:06 by gavinliu7390
[MS] 【求助】请问各位高手用MS如何计算COHP (5/2134) 静峰 2010-04-20 2010-04-22 11:14:52 by hchfox
[热点前沿 ] 【原创】各位虫友觉得CPA这方法怎么样? (1/960) guifan 2010-03-28 2010-04-22 10:59:17 by sars518
[MS] 【求助】DMol3优化参数的选择    ( 1 2 ) (17/2273) sunshine7788 2010-04-05 2010-04-22 10:58:53 by xmr0125
[MS] [关贴]【求助】求助二茂铁在MS中画法 (3/1171) youqingshu 2009-10-24 2010-01-20 04:41:52 by xiaokanfengyun5
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