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[热点] 十年后又回来了,论文投稿求助 哈哈114477 2026-08-06 刚刚
[MS] 【求助】使用castep计算是遇见的问题 (2/562) 薛金祥 2010-04-28 2010-04-29 08:56:18 by carlaty
[MS] 【求助】请高手介绍几本材料计算基础的书 (1/580) 蓝色_123 2010-04-28 2010-04-29 08:54:44 by carlaty
[Vasp&Me ] 【求助】DFT-D (1/416) chuchu6816 2010-04-27 2010-04-29 00:05:01 by dancai1985
[MS] 【求助】Graphite Castep 结构优化为何层间距越算越大 (4/991) zqbeckham7 2010-04-28 2010-04-28 22:44:37 by zqbeckham7
[Vasp&Me ] 【求助】开启自旋轨道耦合后的PDOS问题 (0/622) ads5ads5 2010-04-27 2010-04-28 22:40:55 by ads5ads5
[MS] 【求助】MS中Anneal 构象搜索结果问题 (0/259) googo66 2010-04-28 2010-04-28 22:40:11 by googo66
[Vasp&Me ] 【求助成功】关于LORBIT的几个问题 (0/1031) gleerat 2010-04-28 2010-04-28 22:38:50 by gleerat
[MS] 【求助】原子对的混合热 (0/195) iamkz 2010-04-28 2010-04-28 22:38:40 by iamkz
[MS] 【求助】从MS得出的CaFe2as2的原子坐标有问题。(已解决) (0/199) Prettyswan 2010-04-28 2010-04-28 22:37:46 by Prettyswan
[Vasp&Me ] 【求助】OUTCAR中的total charge! (2/1301) gaofenglili 2009-04-29 2010-04-28 20:22:05 by westmonster
[MS] 【求助】金属性 (4/1000) 06022065 2010-04-28 2010-04-28 20:16:29 by 锐利的碎片
[Vasp&Me ] 【求助】原子间交换系数和居里温度的计算 (1/1637) luolijin 2010-04-27 2010-04-28 20:02:28 by meimeinn
[MS] 【求助】团簇的偶极矩 (2/319) 徐亮8090 2010-04-28 2010-04-28 19:37:51 by meimeinn
[MS] 【求助】紧急求助!!MS设置任务后无法运行 (5/1042) 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) (7/3843) 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 (1/1829) 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 ) (15/2274) 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 (5/2157) shengxiang 2010-04-27 2010-04-28 16:24:35 by goldenfisher
[Abinit] 【求助】Abinit计算中的问题 (8/1670) qiwei505 2010-04-27 2010-04-28 15:45:19 by fzx2008
[MS] 【求助】Castep能做什么? (3/986) 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 ) (18/3658) 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 ) (20/4435) 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 (0/662) 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 (4/1113) qscao 2010-04-19 2010-04-28 09:31:19 by qscao
[MS] 【求助】MPI并行出错,急啊~~ (1/457) 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 (7/2682) 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 (5/3090) 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 (2/767) lynarcissusly 2010-04-27 2010-04-27 23:37:13 by yindeqiang
[MS] 【求助】吸收边与光学带隙 (2/5728) 2008210014 2010-04-27 2010-04-27 23:19:23 by goldenfisher
[其他] 【求助】PDOS作图 (2/1011) B.C.Wang 2010-04-27 2010-04-27 22:19:06 by zengxiangm
[MS] 【求助】态密度 单位 (2/1394) 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 (2/528) 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 (1/418) 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 (6/1867) qiwei505 2010-04-27 2010-04-27 19:21:24 by fzx2008
[MS] 【求助】如何做径向分布函数 (3/1381) 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 (2/392) 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 (4/1836) 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? (8/2467) 天下为公5592 2010-04-26 2010-04-27 09:20:21 by carlaty
[MS] 【求助】Discover运行出错 (9/1126) 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) (3/741) 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 (7/1737) 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 (6/2039) nkleof 2010-04-26 2010-04-26 17:38:50 by nkleof
【求助】掺杂的第一性原理计算 (1/420) 薛金祥 2010-04-26 2010-04-26 17:24:15 by goldenfisher
[MS] 【求助】dmol3研究团簇 (2/486) 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 (1/460) shengfengyu 2010-04-26 2010-04-26 13:45:55 by yjmaxpayne
[Vasp&Me ] 【求助】vasp计算实例 (评阅-2) (4/1096) 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 (3/1124) 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 (7/2098) 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? (9/2733) 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 ) (22/2038) 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 (3/439) 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 (5/1567) 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 (6/1436) 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? (6/2419) 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! (1/370) 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 ) (10/1867) yy08 2010-04-14 2010-04-25 10:52:48 by bluewhale
[MS] 【求助】MS下怎么看键角大小 (4/2131) 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? (3/2271) keitapsp 2010-04-24 2010-04-25 01:33:32 by keitapsp
[热点前沿 ] [关贴]【求助】期刊编辑 (1/310) 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 (0/189) 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 (3/982) kpsong 2010-04-24 2010-04-24 21:50:07 by cationly
[Siesta& ] 【求助】atk中the chiral vector的问题 (0/226) 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 (1/209) 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 (7/1891) 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 (4/695) mingyan988 2010-04-17 2010-04-24 14:23:44 by wangyujia
[Siesta& ] 【求助】ATK的license 19 (2/737) 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 (9/1478) 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 (3/1128) 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) (1/268) aylayl08 2010-04-24 2010-04-24 09:15:19 by aylayl08
[Siesta& ] 【求助】ORDERN算法 (3/830) 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 ) (13/1842) 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!!!! (2/277) 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 (1/261) 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 (4/2065) 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? (0/294) 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 (4/1281) skyggyy 2010-04-22 2010-04-23 21:05:22 by jiabuda
[MS] 【求助】想用Dmol3,可没有版权? (5/1947) 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 (0/338) fangyongxinxi 2010-04-23 2010-04-23 16:50:20 by fangyongxinxi
[Vasp&Me ] 【求助】VASP计算出错,求解! (0/726) jglee646 2010-04-23 2010-04-23 13:27:16 by jglee646
[Vasp&Me ] 【求助】Makefile.sun分析 (2/379) guifan 2010-04-22 2010-04-23 10:52:57 by guifan
[其他] 【求助】求助InFeO3晶体结构 (4/537) niuli 2010-04-22 2010-04-23 10:16:08 by niuli
[MS] 【求助】三维声子谱 (1/448) newton3915 2010-04-23 2010-04-23 10:10:29 by gavinliu7390
[MS] 【求助】spin的单位 (6/1471) 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? (8/1472) 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 (0/347) bbboymyh 2010-04-22 2010-04-22 23:20:24 by bbboymyh
[Abinit] 【求助】编译错误 (4/764) 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 (4/826) 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 (6/12791) xiaosi8758 2009-08-12 2010-04-22 22:08:29 by g_xq96
[MS] 【求助】material studio4.4的license问题 (1/406) freshman8185 2010-04-13 2010-04-22 22:08:28 by 水之源
[Vasp&Me ] 【求助】vasp计算出错 (4/1099) 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! (0/237) qkzh3091 2010-04-22 2010-04-22 19:47:45 by qkzh3091
[MS] 【求助】MS无法计算 (4/1090) 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 (2/782) minmin_0082003 2009-12-09 2010-04-22 15:57:19 by fengshiquan
[Wien2k& ] 【求助】关于mini.positions请教.... (9/1064) 空壳 2010-04-19 2010-04-22 15:27:04 by 空壳
[MS] 【求助】建模问题    ( 1 2 ) (10/961) vera260204 2010-04-19 2010-04-22 14:39:53 by shrek826
[MS] 【求助】怎么求溶液密度 (1/519) fcfifa2002 2010-04-21 2010-04-22 14:37:48 by fcfifa2002
[MS] 【求助】求ms5.0for windows 能用的lic (4/709) newton3915 2010-04-21 2010-04-22 13:09:00 by xianggui7895
[MS] 【求助】Materials-studio 4.4问题 (4/1355) wangyb4142 2010-04-21 2010-04-22 13:03:40 by xianggui7895
[MS] 【其他】materials studio运行时说license过期? (1/934) lovemydog 2010-04-22 2010-04-22 12:49:50 by lovemydog
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