24小时热门版块排行榜    

管理团队 (金币库 94048.7 充值 )

主管区长:
月只蓝小红豆
主管版主:
漫天飘雪蛋蛋小童鞋franch

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 小论文投稿 必上岸168 2025-12-15 刚刚
[MS] 【求助】请教一下castep中几个能量的定义? (2/696) shihuangzhe 2010-12-25 2010-12-25 10:59:06 by minmin8608
[MS] 【求助】dmol计算磁性物质FeCo不收敛问题 (0/246) lishufei 2010-12-25 2010-12-25 10:02:11 by lishufei
[Vasp&Me ] 【求助】sigma的影响 (2/869) wanglei200 2010-12-23 2010-12-24 20:21:10 by goldenfisher
[热点前沿 ] [关贴]【求助】化学势与费米能有何区别 (评阅-2) (1/944) hhp102 2010-12-24 2010-12-24 20:16:39 by goldenfisher
[热点前沿 ] 【求助】共线磁性问题:磁矩取向沿着b晶向和c晶向计算得到的总能相同吗? (1/438) identation 2010-12-24 2010-12-24 19:42:44 by wei.ji
[MS] 【求助】急,大家算MS的计算机硬盘都是多大的?需要多大的 (8/705) Excaliburn 2010-12-24 2010-12-24 18:26:10 by 33010127
[MS] 【求助成功】MS计算结果看不懂 (7/1026) everday163 2010-12-23 2010-12-24 17:10:36 by everday163
[MS] 【求助】fe3O4和fe2O3的晶胞位置是多少呀? (1/417) tegusi119 2010-12-24 2010-12-24 17:00:04 by futiliu
[MS] 【求助】如何计算一个原子的能量 (10/2254) liuhongge1 2010-11-18 2010-12-24 16:44:55 by qx08131989
[Vasp&Me ] 【其他】第一性原理计算中常用的能量分析讨论 (1/310) gaottgougou 2010-12-24 2010-12-24 15:17:37 by gaottgougou
[MS] 【求助】Dmol3 偶极矩 导数矩阵 (2/1057) guohui_Hao 2010-12-23 2010-12-24 14:56:57 by guohui_Hao
[MS] 【求助】MS版本升级后AC的legacy问题 (0/300) sophia_999 2010-12-24 2010-12-24 14:12:52 by sophia_999
[MS] 【求助】用DMol的动力学可以算距离径向分布么 (0/256) mmily418 2010-12-24 2010-12-24 13:49:38 by mmily418
[其他] 【求助】求一本电子书 (0/309) number1xu 2010-12-24 2010-12-24 11:57:21 by number1xu
[QE(Pwsc ] 【求助】pwscf错误提示diagonalization(ZHEGV*) falied (8/3172) gaods101@163 2010-12-23 2010-12-24 10:47:08 by gaods101@163
[MS] 【求助】能否在CASTEP中掺杂离子? (0/191) freshman8185 2010-12-24 2010-12-24 10:45:24 by freshman8185
[MS] 【求助】紧急求助 (评阅+1) (1/245) convenient 2010-12-24 2010-12-24 09:51:40 by normanw
[MS] 【求助】关于相关函数图问题(discover),谢谢 (1/217) 端木青 2010-12-24 2010-12-24 09:42:01 by 端木青
[MS] 【求助】MS 中discover模块跑完动力学,用哪个模块可以计算分析自由能变化 (6/1669) 5858797 2010-12-20 2010-12-24 09:25:28 by 313838515
[Abinit] 【求助】nband和occ 设置 (3/1975) xsw841020 2010-12-23 2010-12-24 09:22:48 by fzx2008
[Vasp&Me ] 【求助】那个虫友能给我发一个libgoto_p4_512-r0.94.so呢? (4/402) enola 2010-12-18 2010-12-24 09:00:25 by enola
[MS] 【求助】衍射线分析 (5/430) humeng0811 2010-12-23 2010-12-24 08:39:35 by zhang668
[MS] 【求助】求Material studio安装软件及安装方法,谢谢 (1/453) kuailedandan 2010-12-23 2010-12-23 23:01:54 by lbambool
[其他] 【其他】搞材料计算找工作怎么样 (6/1523) tzl728 2010-12-09 2010-12-23 21:43:59 by awmc2008
[MS] 【求助】请问CASTEP中如何计算分波态密度 (3/1660) ahu1221 2010-12-22 2010-12-23 20:26:57 by meimeidyh
[QE(Pwsc ] 【求助】优化的结构非常奇怪,Au10 簇 被优化成了4组小簇,为什么,输入及结构已贴出 (12/2167) minmin_0082003 2010-12-17 2010-12-23 19:32:52 by hakuna
[MS] 【求助】MS4.0的PDOS不能用的问题 (4/996) ahu1221 2010-12-23 2010-12-23 19:12:27 by ahu1221
[MS] 【求助】MS5.0安装问题 (2/384) nihaifang- 2010-12-19 2010-12-23 17:32:26 by Q.Tan
[MS] 【求助】O, F分子晶体如何建模 (1/267) freshman8185 2010-12-23 2010-12-23 16:24:51 by gd1983635
[MS] 【求助】MS计算半导体能带结构,哪个模块准一些? (3/788) frank_zhan 2010-12-23 2010-12-23 16:15:14 by lbambool
[QE(Pwsc ] 【求助】求助pwscf一些模守恒赝势 (1/894) wdlmm1214 2010-12-23 2010-12-23 16:04:00 by 锐利的碎片
[Siesta& ] 【求助】siesta 中的DRHO的意义是什么? (1/428) redskywei 2010-12-22 2010-12-23 11:38:14 by zhangguangping
[Siesta& ] 【求助】ATK中可视化界面vnl的用法手册 (2/578) honeypeng 2010-12-21 2010-12-23 11:00:02 by honeypeng
[MS] 【求助】l利用Dmol 对晶体优化 (0/285) guohui_Hao 2010-12-23 2010-12-23 10:36:11 by guohui_Hao
[MS] 【求助】我最近想买计算机(计算MS),大家都来晒一下自己计算机的配置(包括处理器, (1/296) Excaliburn 2010-12-22 2010-12-23 00:31:17 by yoghurt117
[MS] 【求助】Castep中计算PDOS    ( 1 2 ) (12/2576) jiaozy 2010-02-04 2010-12-22 23:28:13 by suyi20466975
[MS] 【求助】MS5.0--CASTEP无法计算PDOS (3/848) amynliou 2010-09-19 2010-12-22 23:23:56 by suyi20466975
[MS] 【求助】如何从car文件中提取特定原子的坐标 (1/198) 初学COMSOL 2010-12-22 2010-12-22 22:57:18 by 初学COMSOL
[MS] 【求助】关于结构因子的分析 (0/463) xjw040 2010-12-22 2010-12-22 22:20:23 by xjw040
[MS] 【求助】高人啊,指教一下,,, (1/193) mk1599 2010-12-19 2010-12-22 16:31:29 by mk1599
[MS] 【求助】掺杂能带 (2/521) astrolia 2010-12-21 2010-12-22 13:32:06 by astrolia
[MS] 【求助】redhat MS 安装 (3/344) sss3012 2010-12-21 2010-12-22 10:16:15 by lbambool
[MS] 【求助】高压下的弹性常数为何不是线性的 (2/417) XZLZLWH 2010-12-21 2010-12-22 09:18:22 by XZLZLWH
[Vasp&Me ] 【求助】求用vasp做表面过渡态的课题组 (2/352) piaoxue001 2010-12-21 2010-12-22 08:26:36 by cash_ms
[MS] 【求助】最可能构象与构象优化 (3/586) mountwar 2010-12-21 2010-12-21 23:27:37 by cg陈
[MS] [关贴]【求助】MS5.0计算特别慢 (12/1446) 一粟待海 2010-12-21 2010-12-21 21:45:15 by bashen1
[Vasp&Me ] 【求助】vasp静自洽计算中断如何继续 (10/2617) bananawuzhu 2010-12-19 2010-12-21 19:57:26 by bananawuzhu
[MS] 【求助】CO态密度图 (2/471) liujie5631 2010-12-21 2010-12-21 19:37:45 by feass2
[MS] 【求助】模拟XRD图的数据如何读取 (4/839) mountwar 2010-12-21 2010-12-21 17:57:44 by mountwar
[Vasp&Me ] 【求助】请问VASP计算完之后该如何画波函数 (2/1067) repent03 2010-12-21 2010-12-21 16:57:12 by study163
[MS] 【求助】脚本运行结果只出来一个对话框%1,不知道什么原因? (2/338) xjw040 2010-12-20 2010-12-21 16:07:08 by xjw040
[MS] 【求助】MS客户机和服务器版本不同可以吗? (1/146) xianggui7895 2010-12-21 2010-12-21 14:22:56 by bingmou
[MS] 【求助】Dmol3 晶体计算红外强度 (0/363) guohui_Hao 2010-12-21 2010-12-21 14:01:15 by guohui_Hao
[MS] 【求助】MS 安装求帮助 (9/1290) 涅磐BornFirn 2010-12-18 2010-12-21 12:20:52 by kuner
[MS] 【求助】怎么分析成键反键 (评阅+2) (8/2312) crante 2010-12-20 2010-12-21 11:06:21 by limaojlu
[Vasp&Me ] 【求助】VASP能否算vibrational frequency?    ( 1 2 ) (14/2138) first_yg 2010-12-17 2010-12-21 10:21:57 by dxcharlary
[Vasp&Me ] 【求助】怎么建立POTCAR,vasp中找不到赝势文件 (4/4726) liqian16 2010-12-06 2010-12-21 09:29:39 by sxjsn1
[热点前沿 ] 【原创】graphene获诺贝尔物理学奖了    ( 1 2 3 ) (22/1297) y1ding 2010-10-05 2010-12-21 09:26:45 by limaojlu
[MS] 【求助】用dmol计算周期性体系解离小分子 (4/924) lishufei 2010-12-20 2010-12-21 08:51:04 by lishufei
[MS] 【求助】Castep 步数的设置 (1/479) dare 2010-12-20 2010-12-21 01:15:30 by yindeqiang
[其他] 【求助】VESTA怎么画一维的模型图 (2/429) 夕阳西下 2010-12-20 2010-12-20 23:50:20 by 夕阳西下
[MS] 【求助】win7 MS 多核并行 蓝屏 (0/554) guohui_Hao 2010-12-20 2010-12-20 23:16:53 by guohui_Hao
[MS] 【求助】Dmol 计算 无错误显示,但是CPU 不运行了 (1/248) guohui_Hao 2010-12-20 2010-12-20 23:12:14 by ym23
[其他] 【求助】第一性原理的前景 (1/403) yanwei12 2010-12-20 2010-12-20 23:02:05 by ym23
[Vasp&Me ] 【求助】如何加U (6/913) zhouhua0227 2010-12-20 2010-12-20 22:11:52 by zhouhua0227
[MS] 【求助】自旋向上与向下的PDOS完全一样 (5/655) feass2 2010-12-20 2010-12-20 21:35:14 by bingmou
[其他] 【求助】lev00在vasp5.2中不能用了,求助 (2/464) annann 2010-12-20 2010-12-20 21:32:04 by bingmou
[其他] 【求助】windig软件 (1/578) duanyan 2010-12-20 2010-12-20 19:30:51 by 锐利的碎片
[Vasp&Me ] 【求助】这是什么错误啊 (1/256) wanglei200 2010-12-17 2010-12-20 19:22:12 by hakuna
[MS] 【求助】请教,+u 和 scissors 的设置! (4/755) gongjijun 2010-12-18 2010-12-20 18:30:54 by dlthl
[Abinit] 【求助】有关anaddb中elphsmear和a2fsmear的取值 (3/621) 学员UKbkc5 2010-12-14 2010-12-20 17:56:23 by mrd-81
[MS] 【求助】qiijiao (7/1337) mk1599 2010-12-19 2010-12-20 14:00:53 by souledge
[MS] 【求助】急求啊 (6/510) freeningxing 2010-12-19 2010-12-20 13:58:53 by souledge
[MS] 【求助】晶体结构原子替换 (7/1594) nihaifang- 2010-12-17 2010-12-20 12:53:07 by yaodu
[MS] 【求助】有关materials studio文献 (1/372) mk1599 2010-12-20 2010-12-20 12:09:47 by ym23
[MS] 【求助】ms (4/365) mk1599 2010-12-19 2010-12-20 11:13:55 by 5858797
[MS] 【求助】请问算graphene能带时倒格矢怎么取 (2/400) whiteman 2010-12-20 2010-12-20 10:49:45 by 水座
[MS] 【求助】castep原子电荷计算问题 (3/1637) wzh上善若水 2010-12-13 2010-12-20 10:37:39 by astrolia
[MS] 【求助】要买新计算机,求推荐 (3/490) Excaliburn 2010-12-19 2010-12-20 10:35:29 by youzhizhe
[MS] 【求助】这个晶体该怎么画    ( 1 2 ) (13/1167) mk1599 2010-12-18 2010-12-20 09:52:52 by boylc789
[MS] 【求助】c磁性计算结果分析 (4/419) qwji 2010-12-17 2010-12-20 09:45:13 by qwji
[MS] 【求助成功】MS软件问题 (9/1898) yufengjiayou 2010-12-18 2010-12-20 09:25:56 by yufengjiayou
[MS] 【求助】MS4.4linux安装license错误 (金币≥20)(8/285) linldq 2010-05-27 2010-12-19 19:43:53 by lbambool
[MS] 【求助】alpha-MnO2的(200)面和(001)面的原子排列,非常感谢! (1/476) nanowei 2010-12-19 2010-12-19 17:47:56 by pro_junjie
[MS] 【求助】用MS如何计算N2能量 (0/302) maxuesh 2010-12-19 2010-12-19 17:08:54 by maxuesh
[热点前沿 ] 【求助】寻找李正中《固体理论》习题答案 (0/445) hhp102 2010-12-19 2010-12-19 15:17:37 by hhp102
[热点前沿 ] 【求助】求助一篇PSS.b论文 (0/200) guoliangfan 2010-12-19 2010-12-19 12:56:30 by guoliangfan
[MS] 【求助】几何优化 (4/492) nihaifang- 2010-12-18 2010-12-19 11:52:33 by nihaifang-
[MS] 【求助】求计算时间参考 (9/1052) Excaliburn 2010-12-18 2010-12-19 11:14:30 by Excaliburn
[MS] 【求助】在能带图上标出不同轨道? (2/311) freshman8185 2010-12-17 2010-12-19 09:35:11 by freshman8185
[MS] 【其他】[讨论] 如何计算(如图) (0/201) aibude163 2010-12-18 2010-12-18 23:51:31 by aibude163
[MS] 【求助】有没有氧化物相图生成软件 (0/468) liujie1003 2010-12-18 2010-12-18 21:59:00 by liujie1003
[MS] 【求助】MS50安装的问题 (0/261) boylc789 2010-12-18 2010-12-18 21:10:37 by boylc789
[MS] 【求助】"gateway time out" (4/921) anothermomo 2010-12-17 2010-12-18 19:37:06 by anothermomo
[Siesta& ] 【其他】刚开始做,想问问最初始的问题 (4/637) ustbwgs 2010-12-13 2010-12-18 16:05:14 by 扭扭糖
[MS] 【求助】帮忙看一下这幅图!!! (5/725) wydzyx2003 2010-12-13 2010-12-18 14:36:32 by chenjerry
[MS] 【求助】请教楼主 (4/510) cocoling 2010-12-18 2010-12-18 13:45:08 by xisogr
[MS] 【求助】ICSD 数据库加密了怎么办 (1/487) Excaliburn 2010-12-18 2010-12-18 11:53:03 by lbambool
[MS] 【求助】population 计算完之后 分析的时候点assign 可是没什么变化? (1/279) Excaliburn 2010-12-18 2010-12-18 11:52:06 by lbambool
相关版块跳转
查看