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[热点] 博士申请都是内定的吗? 青海清 2025-12-19 刚刚
[MS] 【求助】求王坤鹏和刘长松有关缺陷对kdp光学性能影响的论文 (1/318) luoyutian 2010-04-22 2010-05-18 12:22:34 by luoyutian
[MS] 【求助】戴尔 系统 ms报错 (3/326) 574384607 2010-05-17 2010-05-18 12:07:01 by zzy870720z
[Vasp&Me ] 【求助】vasp (4/908) yueya9113 2010-05-18 2010-05-18 11:08:18 by yueya9113
[MS] 【求助】请问这里的div的意义,怎么更改?    ( 1 2 ) (14/1110) wuli8 2010-05-17 2010-05-18 10:03:42 by zzy870720z
[Vasp&Me ] 【求助】Cu-Cu相互作用的范围是多少,上文献 (4/655) 405963512 2010-05-17 2010-05-17 22:20:50 by valenhou001
[QE(Pwsc ] 【求助】如何联系材料的微观属性与宏观属性? (5/820) byin 2010-05-07 2010-05-17 22:20:29 by goldenfisher
[QE(Pwsc ] 【求助】磁滞回线 (2/835) byin 2010-05-17 2010-05-17 22:19:13 by goldenfisher
[Vasp&Me ] 【求助】如何计算电荷转移的具体数值 (2/548) mermaid1128 2010-05-17 2010-05-17 21:12:10 by vasp001
[MS] 【求助】关于MS结构问题 (3/598) 随心意 2010-05-17 2010-05-17 20:55:36 by franch
[MS] 【求助】没有4f电子层的元素掺杂是否要加U值?(请赐教) (6/1038) yankai131 2010-05-16 2010-05-17 20:48:26 by luxia0210
[MS] 【求助】不太明白Hubbard U与U、J的意义,J值如何算,麻烦高人指点下! (4/2347) yankai131 2010-05-17 2010-05-17 20:45:29 by luxia0210
[MS] 【求助】blend模块求助 (0/282) binkwei 2010-05-17 2010-05-17 19:48:26 by binkwei
[MS] 【求助】MS 中在2*2*2的超胞掺一个Y或La,属性计算出现问题....(急人) (6/714) yankai131 2010-05-16 2010-05-17 19:12:01 by yankai131
[MS] 【求助】高分子链能量最小化问题    ( 1 2 ) (10/978) lifenliu 2010-05-10 2010-05-17 17:03:51 by zzy870720z
[MS] 【求助】关于带隙和带反键的问题!!!!    ( 1 2 ) (14/1797) yangkunspace 2010-04-28 2010-05-17 16:56:01 by yangkunspace
[MS] 【求助】MS软件卸载 (9/1137) fyz_ok 2010-05-15 2010-05-17 16:52:22 by 天棚元帅
[Vasp&Me ] 【求助】有没有人见过这么奇怪的态密度 (7/1706) zhang668 2010-05-15 2010-05-17 14:48:25 by zhang668
[其他] 【求助】这些软件可以计算试剂在不同温度下的密度吗 (0/150) dreamboat 2010-05-17 2010-05-17 13:49:04 by dreamboat
[MS] castep磁性计算能算反铁磁吗? (4/1603) zhenfeili 2010-05-15 2010-05-17 13:31:58 by jphuang_63
[Vasp&Me ] 【求助】优化K点,能量出现震荡 (8/1467) txf8378 2010-05-11 2010-05-17 13:29:26 by valenhou001
[MS] 【求助】怎么建立六方硫化锌纳米管 (5/875) guoguo3138 2010-05-12 2010-05-17 11:34:57 by zzy870720z
[MS] 【求助】HOMO,LUMO轨道分析 (0/1649) soaring1651 2010-05-17 2010-05-17 09:35:42 by soaring1651
[MS] 【求助】声子谱 (6/1435) newton3915 2010-05-11 2010-05-17 08:11:52 by 511343235
[MS] 【求助】单斜B1a1空间群对应于MS中哪一个序号? (1/467) yq2240711 2010-05-16 2010-05-17 00:54:35 by souledge
[Vasp&Me ] 【求助】vasp算红外光谱的可行性? (1/806) zhanping 2010-05-16 2010-05-17 00:15:47 by ferretl
[MS] 【求助】请问用Material Studio如何计算有机物在溶液中的溶解度? (4/1597) riodiego 2010-05-16 2010-05-16 23:48:40 by cel0303
[MS] 【求助】如何建立MWW的分子筛模型以进行高斯计算? (1/445) 学员paSMd8 2010-05-14 2010-05-16 18:16:06 by zyj8119
[其他] 【求助】请问大家cohensive energy density值有何意义 (4/477) xjw040 2010-05-14 2010-05-16 16:17:38 by xjw040
[Abinit] 【求助】Plugins problem when running "make" (4/868) huangye2001 2010-05-15 2010-05-16 14:46:29 by valenhou001
[MS] 【求助】HOMO 和LUMO统计时有可能的错误之处。 (1/334) zsl_321123 2010-05-16 2010-05-16 14:34:38 by ddang100
[MS] 【求助】石墨烯条带结构的仿真 (3/1337) 回雁衡阳 2010-05-13 2010-05-16 14:32:12 by valenhou001
[Vasp&Me ] 【求助】什么是internal structural parameter u? (3/831) keitapsp 2010-05-16 2010-05-16 13:45:15 by keitapsp
[Vasp&Me ] 【原创】关于寻找transition state的问题 (评阅+2) (4/675) persei 2010-05-14 2010-05-16 11:17:40 by persei
[MS] 【求助】没模拟完 接着进行模拟 问题 (1/192) 574384607 2010-05-16 2010-05-16 10:25:24 by qasd
[MS] 【求助】ac 周期性水盒子 溢出 (2/260) 574384607 2010-05-12 2010-05-16 10:24:56 by qasd
[Vasp&Me ] 【求助】vasp结果的处理 (4/626) qnsyhanjiu 2010-05-14 2010-05-16 10:11:40 by valenhou001
[MS] 【求助】根据能带结构计算电子有效质量 (4/1992) Lucky2681 2010-05-13 2010-05-16 10:03:47 by valenhou001
[Abinit] 【求助】是不是什么计算都得进行收敛测试? (8/2103) liuhuan2017 2009-11-16 2010-05-16 09:46:11 by valenhou001
[MS] 【求助】计算的时间 (6/717) newton3915 2010-05-15 2010-05-16 09:02:49 by newton3915
[Siesta& ] 【求助】偏压,门电压,栅压 (3/1661) kaypu 2010-05-12 2010-05-16 08:44:30 by valenhou001
[QE(Pwsc ] 【求助】Pwscf现在可以算哪些力学性质? (3/736) ydeng2639 2010-05-15 2010-05-16 08:40:45 by valenhou001
[MS] 【求助】materials studio 里面, Co用(hkl)坐标观测很不方便, 能转换成(hkml)来看嘛? (0/138) oskarmask 2010-05-13 2010-05-15 22:31:55 by oskarmask
[其他] [关贴]【求助】求助crystal09软件包 (9/1760) ice_rain 2010-05-10 2010-05-15 22:30:11 by 天空空
[Siesta& ] [关贴]【求助】如何用两种颜色画LDOS图(颜色表示自旋方向,圈圈大小表示LDOS的大小 (0/391) 163.com 2010-05-15 2010-05-15 18:17:05 by 163.com
[Siesta& ] [关贴]【求助】如何用两种颜色画LDOS图(颜色表示自旋方向,圈圈大小表示LDOS的大小 (0/499) 163.com 2010-05-15 2010-05-15 18:16:35 by 163.com
[Wien2k& ] 【求助】如何确定参杂杂质的价态? (3/662) defeat 2010-05-15 2010-05-15 17:49:49 by cbFeng200881
[Vasp&Me ] 【求助】split_dos    ( 1 2 ) (11/1630) zhang668 2010-05-14 2010-05-15 17:45:13 by fanchen021
[其他] 【求助】请教dmol3计算设置问题 (2/356) 278036903 2010-05-13 2010-05-15 15:00:01 by 278036903
[MS] 【求助】各位看看这个,是不是机器容量不够? (5/512) zhenfeili 2010-05-15 2010-05-15 12:45:33 by zhenfeili
[Vasp&Me ] 【求助成功】VASP的GGA赝势,有的发下. (4/656) rdw00 2010-05-14 2010-05-15 12:12:31 by rdw00
[其他] 【求助】化学键问题 (2/407) 06022065 2010-05-15 2010-05-15 09:26:57 by wuli8
[MS] 【求助】关于苯分子的大π键 (9/2550) qgqgrm 2010-05-14 2010-05-15 06:40:08 by qgqgrm
[Abinit] 【求助】请教关于Abinit的问题 (2/351) xumc2000 2010-05-15 2010-05-15 04:06:38 by xumc2000
[MS] 【求助】如何建立MWW的分子筛模型以进行高斯计算? (2/889) 学员paSMd8 2010-05-13 2010-05-14 23:54:10 by sunyun-06
[其他] 【其他】程序软件版活动“你帮我助,共同提高”,欢迎大家参与    ( 1 2 ) (评阅+7) (17/1014) wangen994 2010-04-01 2010-05-14 23:28:41 by guifan
[MS] 【求助】不同碳含量影响含铌钢中碳化铌固溶、析出问题 (1/489) yangguxy 2010-05-14 2010-05-14 22:09:12 by yangguxy
[Vasp&Me ] 【求助】p4vasp出现的问题 哪位大侠帮忙解决 (5/1803) zhangkun7581 2009-05-19 2010-05-14 16:40:22 by zhang668
[QE(Pwsc ] 【分享】赝势文件格式 (评阅+3) (1/1624) xirainbow 2010-05-14 2010-05-14 13:56:36 by lfhuang
[Vasp&Me ] 【求助】vasp能计算每个原子带的电荷吗? (2/510) bird007 2010-05-14 2010-05-14 13:36:05 by 子虚乌有5388
[Vasp&Me ] 【求助】关于VASP计算Fe的磁性出现错误    ( 1 2 ) (11/1182) aasan 2010-05-11 2010-05-14 12:23:30 by luxia0210
[MS] 【求助】castep 优化表面 (金币≥1)(4/70) lili0209 2010-05-13 2010-05-14 08:34:31 by zuozhijun5134
[MS] 【求助】吸附求助! (6/584) liang7035 2010-05-12 2010-05-14 08:32:28 by liang7035
[QE(Pwsc ] 【分享】Quantum ESPRESSO 4.2rc 发布 (7/1622) chrinide 2010-05-07 2010-05-13 22:49:32 by zzy870720z
[MS] 【求助】怎么看HOMO LUMO    ( 1 2 ) (11/2642) wanfei 2010-05-12 2010-05-13 21:41:20 by wanfei
[其他] 【求助】键态 (2/210) wangrenni 2010-05-11 2010-05-13 20:50:23 by wangrenni
[Vasp&Me ] 【求助】parameters of Sutton-Chen Potential 问题 (1/331) 学员z4kOrB 2010-05-11 2010-05-13 20:31:25 by meimeinn
[Siesta& ] 【求助】求助解决siesta计算关系性质出现的问题! (2/521) caqhero 2010-05-13 2010-05-13 20:24:28 by mayim2008
[MS] 【分享】MS4.4linux版,见有人寻,就发到上面了 (评阅+2) (8/832) cmyy1988 2010-01-05 2010-05-13 16:58:34 by sunshine7788
[Vasp&Me ] 【求助】不同的节点数计算的结果差很多 (6/1561) zhang668 2010-05-08 2010-05-13 16:43:50 by zhang668
[其他] 【其他】做graphene的注意了:国际学习班 (0/386) goldenfisher 2010-05-13 2010-05-13 16:38:42 by goldenfisher
[Vasp&Me ] 【求助】请教运行报错分析 (3/1151) wang-lf09 2010-05-13 2010-05-13 16:07:30 by nkleof
[MS] 【求助】hpmpi安装问题 (2/629) dzhijie 2010-04-21 2010-05-13 15:07:57 by carlaty
[MS] 【求助】请教CASTEP并行问题 (5/539) ljh-000 2010-05-09 2010-05-13 14:54:02 by souledge
[Siesta& ] 【求助】PDOS在Transiesta中是什么意思?【完结】    ( 1 2 ) (10/2750) zhangguangping 2010-04-05 2010-05-13 11:58:40 by zhangguangping
[MS] 【求助】Dmol运行出错    ( 1 2 ) (10/846) shengfengyu 2010-05-11 2010-05-13 11:40:06 by shengfengyu
[Vasp&Me ] 【求助成功】exit status of rank 5: killed by signal 9 错误????    ( 1 2 ) (11/2368) calos818 2010-05-10 2010-05-13 10:17:09 by calos818
[MS] 【求助】电荷密度    ( 1 2 ) (14/2200) wwj_0905 2009-05-13 2010-05-13 09:22:01 by yss2790
[MS] 【求助】态密度单位转换 (3/2475) ethu 2010-05-02 2010-05-13 09:10:57 by yss2790
[Vasp&Me ] 【求助】ISTART ICHARGE 会影响能量的daxiao为什么--VASP (1/2081) ghh2004 2010-05-06 2010-05-13 09:00:04 by nkleof
[MS] 【求助】关于不同位置的k点设置的问题 (6/1205) ramble81 2010-05-11 2010-05-13 08:46:59 by yss2790
[MS] 【求助】按帮助例程做的,出现错误提示,是软件安装问题,还是设置问题 (1/302) sqwang1983 2010-05-12 2010-05-13 08:34:05 by zzy870720z
[QE(Pwsc ] 【转载】PWscf postdoc opportunity @ ANL (评阅+2) (6/1036) xirainbow 2009-11-19 2010-05-12 23:11:07 by xirainbow
[MS] 【求助】MS构建结构 (0/196) 随心意 2010-05-12 2010-05-12 20:49:43 by 随心意
[热点前沿 ] 【求助】平均场理论和朗道理论的关系? (0/1126) beyondboyy 2010-05-12 2010-05-12 20:18:06 by beyondboyy
[MS] 【求助】Nb2O5晶体结构数据 (7/1448) liujie1003 2010-04-15 2010-05-12 19:24:18 by xuexue9990
[Vasp&Me ] 【求助】vasp磁矩计算 (8/2742) weiwei128 2010-05-12 2010-05-12 18:49:51 by nkleof
[MS] 【求助】如何在linux系统 服务器和集群机上安装软件 (1/530) fangyongxinxi 2010-05-12 2010-05-12 18:06:22 by zzy870720z
[MS] 【求助】请问运行卡巴影响服务器速度吗? (2/264) nica 2010-05-12 2010-05-12 17:38:49 by wuli8
[MS] 【求助】请教下 Dmol3 下关于在溶剂里催化问题! (3/628) 涅磐BornFirn 2010-05-10 2010-05-12 17:12:38 by 涅磐BornFirn
[MS] 【求助】求materials studio4.4的lic    ( 1 2 ) (17/1441) xiaoluyy 2009-09-16 2010-05-12 16:38:59 by sikasun
[其他] 【求助】用crysal09 demo版本算的东西能不能发表 (6/562) casjxm 2010-05-12 2010-05-12 15:20:56 by casjxm
[其他] 【原创】The origin of electronic energy band (评阅+1) (0/182) xirainbow 2010-05-12 2010-05-12 13:14:10 by xirainbow
[MS] 【求助】问一下关于MS的版权问题 (9/2321) tubaxu 2010-05-11 2010-05-12 12:57:21 by tubaxu
[Wien2k& ] 【求助】ZnO晶胞结构 (1/639) yufeng1117 2010-05-12 2010-05-12 12:04:14 by luxia0210
[其他] 【求助】有人打算买crystal09么 (3/432) ice_rain 2010-03-01 2010-05-12 09:33:22 by huangyc
[MS] 【求助】Morphology 的Growth morphology 计算失败 谁能告诉我问什么 我是新手~ (0/225) 睡觉的猫 2010-05-12 2010-05-12 09:02:32 by 睡觉的猫
[其他] 【求助】自由π 电子 (0/239) wangrenni 2010-05-11 2010-05-11 22:50:20 by wangrenni
[热点前沿 ] 【求助】手性吸附 (0/439) coella 2010-05-11 2010-05-11 22:20:08 by coella
[MS] 【求助】Forcite模块能观察材料断裂过程不? (3/399) Tower.Tsu 2010-05-11 2010-05-11 21:48:55 by awmc2008
[MS] 【求助】求助B原子的空间群信息 (2/281) Lucky2681 2010-05-11 2010-05-11 21:43:47 by awmc2008
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