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[热点] 申博发邮件 Lmengk 2026-09-18 刚刚
[Vasp&Me ] 【求助】VASP正则系综模拟问题 (4/1877) stractor 2010-09-02 2010-09-08 08:21:48 by stractor
[其他] 【求助】曙光服务器与五舟比较 (0/1647) 夕阳西下 2010-09-08 2010-09-08 04:12:19 by 夕阳西下
[MS] 【求助】吸附自由能和吸附能的理解 (评阅+1) (2/5607) coella 2010-09-07 2010-09-07 22:58:09 by zmrright
[MS] 【求助】继续求助ms安装过程中的license (评阅+1) (6/1252) tranquilseaside 2010-09-07 2010-09-07 22:55:46 by zmrright
[QE(Pwsc ] 【求助】用pwscf做neb计算时出现错误 (0/390) 杜海芹 2010-09-07 2010-09-07 22:30:11 by 杜海芹
[Vasp&Me ] 【求助】如何从DOS看High Spin 和Low Spin态 (评阅+1) (7/1707) calos818 2010-09-07 2010-09-07 21:25:38 by 江山8806
[Siesta& ] 【求助】atk中电流线性问题 (评阅+1) (2/348) kaypu 2010-09-07 2010-09-07 19:58:02 by fan159
[MS] 【求助】再来讨论下Castep如何计算应力-应变曲线的问题! (评阅+2) (5/1529) shxincui518 2010-09-06 2010-09-07 19:52:32 by 鲤鱼飞
[MS] 【求助】castep计算,导入文件失败? (评阅+1) (1/908) astrolia 2010-09-07 2010-09-07 16:23:07 by ym23
[MS] 【求助】求助materials studio 安装过程中的Gateway (评阅+1) (4/916) tranquilseaside 2010-09-07 2010-09-07 16:20:48 by 绿世奇球
[MS] 【求助】有完全对晶胞去掉对称性的方法吗,    ( 1 2 ) (评阅+1) (15/3842) guolianshun 2010-09-06 2010-09-07 15:16:17 by guolianshun
[Abinit] 【讨论】abinit可以计算差分电荷分布吗 (5/1656) zzy1123 2009-10-22 2010-09-07 14:12:04 by fzx2008
[其他] 【求助】问一下各位一维纳米材料各个晶面的表面能谁能算呀 (评阅+2) (0/319) pontiff9922 2010-09-07 2010-09-07 13:43:54 by pontiff9922
[MS] 【求助】声子 (评阅+1) (5/773) Huanhuan5360 2010-09-07 2010-09-07 13:05:07 by ylli
[Vasp&Me ] 【求助】vasp 对于一维问题 能带和态密度能否同时算得 (评阅+1) (0/336) 小木虫于 2010-09-07 2010-09-07 12:27:46 by 小木虫于
[MS] 【求助】紧急求助!!Castep 可以计算材料的磁性吗 (评阅+1) (7/1113) wholelife 2010-09-06 2010-09-07 10:46:07 by hn19870519
[MS] 【求助】j急!请指教MS倒POSCAR (评阅+1) (3/524) bnliu 2010-09-06 2010-09-07 09:23:56 by bnliu
[MS] 【求助】castep计算能带出错? (3/1316) zhangdelin0000 2010-08-31 2010-09-07 09:00:55 by zhangdelin0000
[Vasp&Me ] 【求助】lev00 (2/713) yueya9113 2010-09-05 2010-09-07 08:43:42 by cenwanglai
[MS] 【求助】大侠救我 (3/475) dyh753357 2010-08-29 2010-09-07 07:22:44 by 安德
[MS] 【求助】客户机和服务器用交叉网线连接可不可以? (6/1250) shuo2008 2010-09-05 2010-09-07 03:57:54 by frank178
[Vasp&Me ] 【求助】如何用VASP计算计入应变的缺陷形成能 (2/598) bnliu 2010-09-01 2010-09-07 01:14:17 by icyspace
[MS] 【求助】MS安装怪事,哪位大侠能解决? (3/615) sunzhiguo 2010-09-05 2010-09-07 01:07:41 by o2615
[其他] [关贴]【求助完毕】500金币寻全套crystal09 程序,金币可以再加 (5/764) ice_rain 2010-09-06 2010-09-07 00:02:21 by smilemfc
[热点前沿 ] 【求助】何为第一性原理?? (6/1933) baitao-1987 2010-07-12 2010-09-06 23:17:46 by 宇宙思者
[QE(Pwsc ] 【求助】请问谁有PWS比较详细的教程? (5/1383) 改王之王 2010-09-04 2010-09-06 22:24:00 by 改王之王
[QE(Pwsc ] 【求助】基本概念的划分 (3/2106) byin 2010-05-06 2010-09-06 22:18:07 by 马丽娟
[MS] [关贴]【求助】PDOS在哪啊 (5/667) guolianshun 2010-09-03 2010-09-06 21:46:02 by zhangjunkai
[热点前沿 ] 【求助】推荐几个能算输运性质的开源软件 (2/1042) 灯塔守望者 2010-07-18 2010-09-06 21:45:17 by ifmc1234
[Vasp&Me ] 【求助】vasp计算出现的问题 (0/453) 真实的自我 2010-09-05 2010-09-06 21:27:44 by 真实的自我
[MS] 【求助】COSMO溶剂效应问题 (0/705) gyn1988 2010-09-05 2010-09-06 21:27:40 by gyn1988
[MS] [关贴]【求助】谁能提供一些基团吸附晶体或者晶体便面的建模方法 (0/251) guolianshun 2010-09-06 2010-09-06 21:27:30 by guolianshun
[Vasp&Me ] 【求助】碳纳米管 硅橡胶 分散度 软件 (0/534) gzhao1980 2010-09-06 2010-09-06 21:27:26 by gzhao1980
[QE(Pwsc ] 【求助】虚频和软模是一回事么?    ( 1 2 ) (19/4089) identation 2010-04-25 2010-09-06 21:03:13 by ylli
[QE(Pwsc ] 【求助】pwscf中关于bandgap的问题 (3/943) zhuguomin1 2010-08-02 2010-09-06 20:44:45 by ylli
[MS] 【求助】dos图的纵坐标 值怎么这么大-- (2/1650) qqfly2003 2010-09-06 2010-09-06 20:28:25 by ylli
[Vasp&Me ] 【求助】vasp计算光学性质 (2/975) 子虚乌有5388 2010-09-06 2010-09-06 19:19:39 by 子虚乌有5388
[MS] 【求助】在MS-castep中ZrO2如何掺杂Y2O3 (2/439) tmj523397981 2010-09-05 2010-09-06 19:00:22 by tmj523397981
[Siesta& ] 【求助】一些关于atk中态密度分析的文献 (1/468) kaypu 2010-09-06 2010-09-06 18:55:24 by panjinbo87
[Vasp&Me ] 【求助】关于+U方法的总能上的疑问    ( 1 2 ) (10/2019) hadone 2009-09-29 2010-09-06 16:45:32 by zhang668
[MS] 【已经解决】一用优化软件对系统进行清理MS就不能用了    ( 1 2 ) (12/2568) purewater2715 2010-09-02 2010-09-06 16:29:58 by wzftxw2009
[MS] 【求助】用第一性原理计算热膨胀系数 (1/1357) piao2004ha 2010-09-06 2010-09-06 16:29:29 by piao2004ha
[MS] 【求助】CASTEP计算中的一些问题 (5/1177) zhanglx8632 2010-09-06 2010-09-06 16:27:59 by ym23
[Siesta& ] 【求助】atk中态密度图 (2/451) kaypu 2010-08-23 2010-09-06 11:00:24 by gaottgougou
[MS] 【求助】MS运算中需要虚拟网络吗    ( 1 2 ) (16/1094) guolianshun 2010-09-03 2010-09-05 23:57:29 by sidney_lz
[MS] 【求助】PHONON (1/341) Huanhuan5360 2010-09-05 2010-09-05 21:54:17 by ylli
[MS] 【求助】linux下查看优化的分子结构的问题 (6/1879) zhanping 2010-09-04 2010-09-05 21:13:39 by shuo2008
[MS] 【求助】请教怎样比较两种不同构型的能量哪种稳定?? (4/733) zhuguomin1 2010-09-04 2010-09-05 20:54:15 by 王玉鹏
[MS] 【求助】有序问题 (0/230) 江海寄余生 2010-09-05 2010-09-05 19:24:54 by 江海寄余生
[Vasp&Me ] 【求助】计算能带及态密度 (2/856) 小木虫于 2010-09-05 2010-09-05 18:44:34 by sunyang1988
[QE(Pwsc ] 【求助】zasr='simple'是什么意思 (1/2892) zhl2967 2010-09-05 2010-09-05 18:13:28 by ylli
[Vasp&Me ] 【求助】ISMEAR=0时,能量取哪个? (1/1326) zhang668 2010-09-04 2010-09-05 15:53:23 by cenwanglai
[MS] 【求助】Materials-studio4.4安装问题 (1/898) ww1987 2010-09-04 2010-09-05 15:50:06 by cenwanglai
[其他] 【其他】关于范德瓦尔斯力的理解 (2/568) zjwangphy 2010-09-05 2010-09-05 15:35:25 by dxcharlary
[Vasp&Me ] 【求助】态密度中6d贡献部分丢失 (3/733) txf8378 2010-09-03 2010-09-05 11:11:22 by fzx2008
[Vasp&Me ] 【求助】vasp出错,potcar (1/818) zhaohuxian 2010-09-03 2010-09-05 08:39:04 by gfei2008
[MS] 【求助】金属钒(3d34s2)及合金的计算需要考虑电子自旋及+U么? (3/1442) 鲤鱼飞 2010-09-04 2010-09-04 22:08:34 by 鲤鱼飞
[热点前沿 ] 【求助】富勒烯的文章什么杂志比较有权威 (6/856) jianying8996 2010-09-03 2010-09-04 21:55:48 by steven_li
[MS] 【求助】离子键和共价键的区分    ( 1 2 ) (17/5115) enola 2010-07-19 2010-09-04 16:20:06 by meimeidyh
[Abinit] 【求助】不会看.ddb文件和.gkk文件 (0/428) 学员UKbkc5 2010-09-04 2010-09-04 14:55:57 by xijinyang
[MS] 【求助】从icsd到CASTEP出现的问题 (1/261) gzhao1980 2010-09-04 2010-09-04 14:35:07 by fzx2008
[MS] 【求助】CASTEP中结构优化和能带计算可否同时进行?    ( 1 2 ) (10/3752) freshman8185 2010-07-07 2010-09-04 13:51:33 by 鲤鱼飞
[其他] 【求助】请教反应能垒的问题 (2/767) lgxyz 2010-09-03 2010-09-04 13:46:13 by 夕阳西下
[Vasp&Me ] 【求助】vasp的电子自洽和原子核优化过程是否可以分开? (4/1415) yidiandian2703 2010-09-03 2010-09-04 10:21:16 by yidiandian2703
[MS] [关贴]【求助】MS建模的录像 (3/568) guolianshun 2010-09-02 2010-09-04 10:07:08 by s20080718
[MS] 【求助】第一性原理发论文,投什么期刊? (8/3167) shengfengyu 2010-07-23 2010-09-04 10:04:03 by s20080718
[MS] 【求助】平面波赝势方法PWP (5/1286) guolianshun 2010-09-03 2010-09-03 22:25:22 by fzx2008
[其他] 【求助】请问计算石墨烯的有关性质一般采用什么软件 (3/718) hanson260 2010-09-03 2010-09-03 20:26:00 by 夕阳西下
[Vasp&Me ] 【求助】真空层厚度的如何设置 (金币≥10)(7/89) 真实的自我 2010-09-02 2010-09-03 19:43:30 by ice_rain
[MS] 【已解决】MS服务器与客户端连接问题 (8/1804) sikasun 2010-08-30 2010-09-03 19:39:40 by shuo2008
[Siesta& ] 【求助】vnl中NanoLanguage Scripter里的Geometric Constraints怎么设置 (1/372) chyuhang 2010-09-02 2010-09-03 17:55:44 by fan159
[QE(Pwsc ] 【求助】pwscf的若干问题 (4/1566) enola 2010-08-31 2010-09-03 16:17:13 by enola
[QE(Pwsc ] 【求助】计算态密度步骤是否有问题 ?? (3/1305) zhuguomin1 2010-08-24 2010-09-03 16:08:56 by zhuguomin1
[MS] 【求助】请教能量最小化问题 模拟退火与几何优化 (8/2482) mophyworld 2009-11-24 2010-09-03 15:28:34 by xk6891
[MS] [关贴]【求助】DMO13运算失败 (4/876) guolianshun 2010-09-02 2010-09-03 13:40:09 by Eversong
[MS] 【求助】有限长和无限长纳米管的能隙 (1/341) lovepei 2010-09-03 2010-09-03 11:08:24 by lovepei
[MS] 【求助】关于固溶度计算 (0/423) liujie1003 2010-09-03 2010-09-03 10:13:48 by liujie1003
[Vasp&Me ] 【求助】单机多核用vasp NEB做过渡态 可行吗? (5/1066) lgxyz 2010-09-02 2010-09-03 10:06:19 by hgye
[MS] 【求助】MS5.0 运行问题 (6/1572) dyk325 2010-09-01 2010-09-03 09:56:25 by purewater2715
[QE(Pwsc ] 【求助】为什么我计算又出错????? (3/574) zhuguomin1 2010-08-29 2010-09-02 22:56:34 by lono75
[MS] 【求助已解决!】用客户端服务器运行程序!提交任务后没有计算! (9/2312) shuo2008 2010-09-02 2010-09-02 20:10:45 by shuo2008
[其他] [关贴]【诚聘版主】第一性原理版欢迎您的加入 (评阅+10) (金币≥500)(3/112) wuli8 2010-08-31 2010-09-02 19:05:36 by 163.com
[MS] [关贴]【原创】对模型加约束 (评阅-2) (1/295) jphuang_63 2010-09-02 2010-09-02 18:22:04 by lzl8181
[Abinit] 【求助】abinit 赝势 (7/1667) zxling 2010-08-19 2010-09-02 17:30:42 by fzx2008
[MS] 【求助】请教能带读取基本知识 (5/1444) 眉峰 2010-09-01 2010-09-02 13:38:30 by yangkunspace
[Abinit] 【求助】ABINIT如何减少内存使用量? (4/959) mazuju028 2010-08-26 2010-09-02 11:39:57 by lzl8181
[MS] [关贴]【求助】CASTEP和DMO13区别 (1/392) guolianshun 2010-09-02 2010-09-02 11:29:17 by lzl8181
[MS] 【求助】MS能否调出个物质然后得到他的XRD图 (4/1179) freshman8185 2010-07-23 2010-09-02 11:28:43 by bishy
[Vasp&Me ] 【其他】VASP5.2的杂化泛函计算速度如何? (3/1811) jglee646 2010-09-02 2010-09-02 11:23:47 by stractor
[Vasp&Me ] 【求助】VCA和SCPA的区别 (1/2876) marsdoing 2010-01-06 2010-09-02 11:21:53 by 25351048
[QE(Pwsc ] 【求助】我的能带很特殊吗?? (7/799) zhuguomin1 2010-08-31 2010-09-02 11:16:06 by wenjlu
[Vasp&Me ] 【求助】如何画分波态密度和能带图 急 (金币≥20)(9/237) zengchangan 2010-08-21 2010-09-02 11:10:02 by aray1577
[MS] 【求助】CASTEP中的3D模型没有反应 (2/616) wwgaochao 2010-07-16 2010-09-02 11:01:26 by guolianshun
[MS] 【求助】初学者该从哪里入门???    ( 1 2 ) (12/2813) wwgaochao 2010-06-22 2010-09-02 11:01:12 by wuli8
[MS] 【求助】创腾公司网站上MS各模块文献分类 (7/1010) wanglianli136 2010-07-16 2010-09-02 10:46:35 by guolianshun
[MS] 【求助】非金属掺杂也需要设置自旋?    ( 1 2 ) (14/2505) carlaty 2010-07-17 2010-09-02 10:40:09 by guolianshun
[MS] 【求助】优化结构时应怎么调整参数避免失败? (3/892) gongjijun 2010-07-22 2010-09-02 10:37:36 by guolianshun
[MS] 【分享】Materials Studio 5.0 - Update 1    ( 1 2 ) (评阅+5) (13/3200) cmwangdft 2010-05-07 2010-09-02 10:13:58 by guolianshun
[MS] 【求助】求教CO 吸附氧化锌 100面 都有那些吸附位 (1/378) amywj 2010-07-21 2010-09-02 10:10:12 by guolianshun
[MS] 【求助】在MS中进行结构优化时提示Failure-completed (3/2781) jiangxljnp 2010-07-23 2010-09-02 09:50:06 by guolianshun
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