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[热点] 之前让一硕士生水了7个发明专利,现在这7个获批发明专利的维护费可从哪儿支出哈? 瞬息宇宙 2025-12-19 刚刚
[MS] [关贴]【求助】PDOS在哪啊 (5/528) 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 (2/931) 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 (0/421) 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 (0/659) 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 (0/217) 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 (0/462) 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 ) (19/3301) identation 2010-04-25 2010-09-06 21:03:13 by ylli
[QE(Pwsc ] 【求助】pwscf中关于bandgap的问题 (3/751) 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-- (2/1554) qqfly2003 2010-09-06 2010-09-06 20:28:25 by ylli
[Vasp&Me ] 【求助】vasp计算光学性质 (2/841) 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 (2/364) 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 (1/406) 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 ) (10/1497) 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 ) (12/1954) 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 (1/1311) piao2004ha 2010-09-06 2010-09-06 16:29:29 by piao2004ha
[MS] 【求助】CASTEP计算中的一些问题 (5/888) zhanglx8632 2010-09-06 2010-09-06 16:27:59 by ym23
[Siesta& ] 【求助】atk中态密度图 (2/388) 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 ) (16/735) guolianshun 2010-09-03 2010-09-05 23:57:29 by sidney_lz
[MS] 【求助】PHONON (1/291) 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 (6/1455) 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?? (4/535) zhuguomin1 2010-09-04 2010-09-05 20:54:15 by 王玉鹏
[MS] 【求助】有序问题 (0/210) 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 (2/661) 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 (1/2804) zhl2967 2010-09-05 2010-09-05 18:13:28 by ylli
[Vasp&Me ] 【求助】ISMEAR=0时,能量取哪个? (1/1277) zhang668 2010-09-04 2010-09-05 15:53:23 by cenwanglai
[MS] 【求助】Materials-studio4.4安装问题 (1/714) 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 (2/452) 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 (3/564) txf8378 2010-09-03 2010-09-05 11:11:22 by fzx2008
[Vasp&Me ] 【求助】vasp出错,potcar (1/690) 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? (3/1184) 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 (6/665) 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 ) (17/4251) 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 (0/339) 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 (1/191) 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 ) (10/2942) 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 (2/641) 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? (4/989) yidiandian2703 2010-09-03 2010-09-04 10:21:16 by yidiandian2703
[MS] [关贴]【求助】MS建模的录像 (3/473) 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? (8/2545) shengfengyu 2010-07-23 2010-09-04 10:04:03 by s20080718
[MS] 【求助】平面波赝势方法PWP (5/1053) 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 (3/565) 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 (8/1379) 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 (1/312) chyuhang 2010-09-02 2010-09-03 17:55:44 by fan159
[QE(Pwsc ] 【求助】pwscf的若干问题 (4/1192) 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 ?? (3/897) 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 (8/2127) mophyworld 2009-11-24 2010-09-03 15:28:34 by xk6891
[MS] [关贴]【求助】DMO13运算失败 (4/725) 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 (1/283) lovepei 2010-09-03 2010-09-03 11:08:24 by lovepei
[MS] 【求助】关于固溶度计算 (0/386) 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? (5/875) lgxyz 2010-09-02 2010-09-03 10:06:19 by hgye
[MS] 【求助】MS5.0 运行问题 (6/1106) 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????? (3/411) 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! (9/1516) 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) (1/250) jphuang_63 2010-09-02 2010-09-02 18:22:04 by lzl8181
[Abinit] 【求助】abinit 赝势 (7/1452) 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 (5/1136) 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? (4/693) mazuju028 2010-08-26 2010-09-02 11:39:57 by lzl8181
[MS] [关贴]【求助】CASTEP和DMO13区别 (1/339) 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 (4/825) 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? (3/1574) jglee646 2010-09-02 2010-09-02 11:23:47 by stractor
[Vasp&Me ] 【求助】VCA和SCPA的区别 (1/2773) marsdoing 2010-01-06 2010-09-02 11:21:53 by 25351048
[QE(Pwsc ] 【求助】我的能带很特殊吗?? (7/646) 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 (2/459) 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 ) (12/2037) 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 (7/809) 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 ) (14/1660) 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? (3/650) 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) (13/2477) 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 (1/295) 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 (3/2460) jiangxljnp 2010-07-23 2010-09-02 09:50:06 by guolianshun
[热点前沿 ] 【求助】建模:如何把两种材料拼起来 (3/722) vaspstudy 2010-08-28 2010-09-02 09:28:00 by guolianshun
[Vasp&Me ] 【求助】p4vasp作图的能量零点是如何定义的 (9/1407) vaspstudy 2010-08-27 2010-09-02 07:33:43 by ylli
[MS] 【求助】ms5.0怎么安装队列 (4/459) pashanhu105 2010-08-30 2010-09-01 20:10:22 by bluewhale
[MS] [关贴]【求助】MS帮助有汉语版的吗 (2/247) guolianshun 2010-09-01 2010-09-01 20:10:09 by dxcharlary
[Vasp&Me ] 【求助】关于vasp能量 (5/1066) lgxyz 2010-08-30 2010-09-01 19:56:48 by dxcharlary
[MS] 【求助】reaction energy和 adsorption energy的区别 (6/1124) liujie5631 2010-08-30 2010-09-01 19:16:26 by luoqiquan
[Vasp&Me ] 【求助】vasp计算原子间成键情况 (3/1385) quby7503 2010-09-01 2010-09-01 18:58:41 by study163
[MS] 【求助】关于布局分析 (4/637) 05111034 2010-08-28 2010-09-01 17:09:14 by 有目标有希望
[MS] 【求助】请教带隙问题 (4/454) meimeinn 2010-08-19 2010-09-01 16:23:09 by guolianshun
[MS] 【求助】CO氧化反应的反应热怎么算 (1/668) liujie5631 2010-09-01 2010-09-01 15:40:09 by fanchen021
[MS] 【求助】MS中哪种格式的文件能导入到tecplot软件中? (0/139) freshman8185 2010-09-01 2010-09-01 15:39:24 by freshman8185
[MS] 【求助】优化结构前后,怎么看原子移动多少    ( 1 2 ) (11/1497) jdy19862002 2010-08-24 2010-09-01 15:29:19 by guolianshun
[MS] 【求助】Mo2C的建模 (2/267) liuhongge1 2010-09-01 2010-09-01 14:40:27 by longchang
[Wien2k& ] 【求助】非共线磁性计算采用什么软件比较好 (0/629) quby7503 2010-09-01 2010-09-01 14:38:31 by quby7503
[MS] 【求助】非共线磁性计算采用什么软件比较好 (0/243) quby7503 2010-09-01 2010-09-01 14:33:59 by quby7503
[Vasp&Me ] 【求助】关于MAGMOM的优化 (3/866) txf8378 2010-08-31 2010-09-01 13:06:17 by valenhou001
[MS] 【求助】d带中心及填充率的问题 (2/651) pingping6396 2010-08-31 2010-09-01 09:01:38 by cenwanglai
[MS] 【求助】哪位大侠能给个可用的ms4.2win的链接? (4/429) stewart1922 2010-08-31 2010-09-01 08:41:45 by stewart1922
[MS] 【求助成功】castep 计算失败问题 (6/598) ssyssyssy 2010-08-31 2010-09-01 08:36:16 by ssyssyssy
[MS] 【求助】castep计算 (6/980) ssyssyssy 2010-08-31 2010-09-01 08:26:56 by chensxxy
[Vasp&Me ] 【求助】请问怎么测试vasp (1/315) chuchu6816 2010-08-31 2010-09-01 07:57:52 by babaleo
[MS] 【求助】关于铁磁性的第一原理计算 (1/404) byin 2010-08-31 2010-09-01 07:29:08 by sciencemaji
[QE(Pwsc ] 【求助】pwscf 能带计算    ( 1 2 ) (评阅+1) (16/1676) 风轻云淡7 2010-08-25 2010-08-31 21:32:36 by 风轻云淡7
[QE(Pwsc ] 【求助】pwscf中的问题 (4/1236) 风轻云淡7 2010-08-29 2010-08-31 19:53:51 by dxcharlary
[Vasp&Me ] 【求助】计算弹性常数数事CHG和WAVECAR是空的,正常吗? (2/653) 小康康 2010-08-30 2010-08-31 19:45:27 by 小康康
[Vasp&Me ] 【求助成功】求面态密度分析相关文献若干 (3/524) cenwanglai 2010-08-30 2010-08-31 18:55:28 by valenhou001
[热点前沿 ] 【求助】审稿要求提供“前线能带的空间分布”,请问什么叫前线能带? (5/841) vaspstudy 2010-08-31 2010-08-31 18:52:56 by valenhou001
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