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[热点] 国家基金申请书模板内插入图片不可调整大小? kingkocxr 2026-01-29 刚刚
[Vasp&Me ] [已完结]结构优化 0/1——>0.9829307947555620 (0/124) tuhaidan 2012-09-13 2012-09-13 14:57:25 by tuhaidan
[MS] [已完结]审稿意见回复求助？ (5/782) 风萧萧栖 2012-09-12 2012-09-13 11:04:44 by casjxm
[Vasp&Me ] [已完结]差分电荷密度，差出负数怎么办？ (1/941) dyc_2008 2012-09-12 2012-09-13 08:48:48 by avan
[MS] [已完结]linux ms gateway 问题 ps ：window下ms能建18888gateway (7/1272) w511476842 2011-10-28 2012-09-12 21:02:58 by xx4751
[其他] [已完结][关贴]CuPt3(L12)合金的弹性常数 (0/434) hy218hy218 2012-09-12 2012-09-12 20:25:28 by hy218hy218
[MS] [已完结]dmol算400个硅原子是不是太多了    ( 1 2 ) (10/938) Joannaouc 2012-09-11 2012-09-12 19:42:32 by 漂泊四方
[Siesta& ] [已完结]如何通过ATK软件计算考虑自旋的透射谱，就是自旋向上和向下的分开计算的 (1/791) physuser 2012-09-08 2012-09-12 18:46:14 by yzzzwei
[MS] [已完结]windows7系统64位，装了MS5.5里面的图标都一样，怎么办？急 (5/793) wangth08 2012-09-10 2012-09-12 17:15:46 by wuguohao111
[MS] [已完结]AC 形成氢键 (3/500) huangshuang1 2012-09-12 2012-09-12 16:42:32 by huangshuang1
[MS] [已完结]MS 结果求助 见图 (1/218) cg陈 2012-09-12 2012-09-12 14:50:29 by cg陈
[Vasp&Me ] [已完结]bader    ( 1 2 3 ) (20/2006) fjfuzhou 2012-07-01 2012-09-12 13:23:46 by haowenping
[Vasp&Me ] [已完结]DO3结构计算反铁磁 (2/690) llg1987 2012-09-12 2012-09-12 13:17:21 by souledge
[MS] [已完结]关于弹性常数例如C11，C12的初始准确描述的课本 (5/3319) liuxiaomai 2012-09-07 2012-09-12 10:44:46 by xiariyumi
[Abinit] [已完结]自旋轨道耦合的计算费米能级的位置总是比文献中高一些，纠结 (1/828) 80150081 2012-06-19 2012-09-11 20:54:46 by sars518
[Vasp&Me ] [已完结]vasp运行时报错： Error reading item 'IMAGES' from file INCAR. (8/1504) fy-dream 2012-09-07 2012-09-11 20:44:59 by fy-dream
[Vasp&Me ] [已完结]【求助】关于VASP说明书的问题。我不懂说明书的方法 (3/503) chenxin1992 2012-08-27 2012-09-11 20:10:58 by BlueAurora
[Vasp&Me ] [已完结]根据born effect charge张量，求电极化矢量 (0/471) tuhaidan 2012-09-11 2012-09-11 20:03:35 by tuhaidan
[热点前沿 ] [已完结]请问石墨烯量子点与石墨烯场效应晶体管的关系 (0/333) microweiliu 2012-09-11 2012-09-11 17:09:27 by microweiliu
[资源] [已完结]ms5.0 windows版本下载 (1/312) fengyidai 2012-09-11 2012-09-11 16:58:55 by zhminyi
[Vasp&Me ] [已完结]vasp 计算结果画PDOS图 (2/1893) xiehui0608 2012-09-11 2012-09-11 16:43:01 by 9789074
[MS] [已完结][关贴]Dmol 算出福井函数后，怎么画出这种等高线图啊？？？ (1/1285) gkf高 2012-05-28 2012-09-11 14:22:55 by gkf高
[Vasp&Me ] [已完结]DIPOL如此设置对吗？ (2/1371) tuhaidan 2012-07-03 2012-09-11 12:11:06 by tuhaidan
[MS] [已完结]MS求助 切面后如何建立单元胞 (6/1110) cg陈 2012-09-10 2012-09-11 11:13:40 by cg陈
[QE(Pwsc ] [已完结]求助 (1/299) 常乐12 2012-09-06 2012-09-11 11:07:15 by cj4566
[Vasp&Me ] [已完结]与vasp连接的软件如何设置计算时的核数？ (0/1861) tt-0-8 2012-09-11 2012-09-11 10:38:37 by tt-0-8
[MS] [已完结]到底在计算还是没算？ (7/856) wunianleng 2012-09-05 2012-09-11 09:49:51 by wunianleng
[MS] [已完结]二氧化钛纳米管的构建 (0/402) 707462558 2012-09-11 2012-09-11 09:49:11 by 707462558
[Vasp&Me ] [已完结]用vasp的DFPT计算玻恩有效电荷应该是什么过程 (8/2607) byin 2011-09-21 2012-09-11 09:31:32 by tuhaidan
[MS] [已完结]如何找出LO TO劈裂 (1/1030) future_wl 2012-06-29 2012-09-11 07:21:26 by future_wl
[Vasp&Me ] [已完结]VASP静态自洽计算，能量升高7eV，然后局域磁矩消失，请问是什么问题？ (8/2517) liyong.gan 2012-08-24 2012-09-10 23:02:45 by fanarsenal
[资源] [已完结]求文献 (0/245) 轻轻飘过之 2012-09-10 2012-09-10 22:30:46 by 轻轻飘过之
[MS] [已完结]不能和QQ同时用 (5/673) 困龙 2012-08-29 2012-09-10 21:05:07 by 困龙
[MS] [已完结]DPD模拟帮助文件中的例子出错 (3/487) chenzihan 2012-09-07 2012-09-10 19:23:58 by nan1026feng
[MS] [已完结]如何计算铁磁能量和反铁磁能量 (1/1092) mengchouchou 2012-09-10 2012-09-10 16:20:42 by vasp001
[Vasp&Me ] [已完结]vasp DFPT方法求 Born effect charge ？ 相关资料？ INCAR如何设置？ (0/315) tuhaidan 2012-09-10 2012-09-10 15:29:41 by tuhaidan
[Vasp&Me ] [已完结]VASP结构优化出错 (9/2220) thelrgbird 2011-09-15 2012-09-10 12:18:33 by future_wl
[Vasp&Me ] [已完结]vasp计算中的dE是那两个数值之差 (5/1431) sunxuancheng 2011-11-27 2012-09-10 08:22:59 by future_wl
[MS] [已完结]请教CASTEP中上/下自旋能带结构图分别对应alpha和beta的能带结构图？ (1/1517) 绿世奇球 2012-09-09 2012-09-10 00:12:59 by souledge
[热点前沿 ] [已完结]ISCD导出晶体结构出现问题，希望各路大侠指教！ (5/1174) yylhoodma 2012-08-29 2012-09-09 21:30:48 by 水晶蚂蚁
[MS] [已完结]material studio 安装问题    ( 1 2 ) (14/1096) liutaifeng 2012-09-07 2012-09-09 21:06:36 by 绿世奇球
[MS] [已完结]ms中的一个问题    ( 1 2 ) (13/1394) liangjun44 2012-05-28 2012-09-09 20:09:35 by liangjun44
[MS] [已完结]建模求助 (2/325) fengshiquan 2012-09-08 2012-09-09 11:17:04 by shulezhang
[Vasp&Me ] [已完结]立方zro2 totalDOS和band图出现问题！！！ (1/594) yylhoodma 2012-09-08 2012-09-09 10:22:57 by zhangfan2192
[Vasp&Me ] [已完结]ZBRENT: fatal internal in brackting (1/1174) ffzx 2012-09-09 2012-09-09 10:16:31 by zhangfan2192
[MS] [已完结]弹性常数计算和文献相差很大    ( 1 2 ) (12/1010) hwceng0816 2012-07-21 2012-09-09 06:54:34 by jmsdxyf
[MS] [已完结]MS菜鸟求助各位大侠 (4/698) wyywyy8888 2012-04-02 2012-09-09 06:37:13 by 夏小莫
[热点前沿 ] [已完结]abinit安装错误 (0/398) wanwanq 2012-09-09 2012-09-09 01:04:24 by wanwanq
[MS] [已完结]关于CASTEP模板计算电脑配置问题 (4/1134) 444239852 2012-09-06 2012-09-08 23:43:25 by Zpffpz
[MS] [已完结]Fermi level not found (2/512) liuxiaomai 2012-09-07 2012-09-08 21:20:20 by mywtfmp3
[其他] [已完结]JPCL被拒，推荐投到JPCC，投到JPCC还会是以前那几个审稿人吗？ (3/2059) dream意 2012-09-07 2012-09-08 20:25:36 by cenwanglai
[MS] [已完结]急求！！如何简化晶体结构！ (7/1519) lyl0514 2012-09-05 2012-09-08 17:09:52 by lyl0514
[Siesta& ] [已完结]reorganization energy (2/473) kaypu 2012-09-07 2012-09-08 15:21:30 by kaypu
[Vasp&Me ] [已完结]请教购买过vasp的小组 (0/232) njdxllwl 2012-09-08 2012-09-08 09:56:27 by njdxllwl
[Vasp&Me ] [已完结]怎么算不了单原子    ( 1 2 ) (17/1473) chenxin1992 2012-09-06 2012-09-08 09:13:08 by chenweiguang
[其他] [已完结]各种坐标的区别 (1/898) xihuanhuan 2012-09-07 2012-09-07 20:14:16 by beefly
[MS] [已完结]ms建模问题    ( 1 2 ) (12/795) 菲顶顶 2012-09-05 2012-09-07 19:46:45 by 菲顶顶
[MS] [已完结]求可用的MS 5.0的.lic (5/1723) marshors 2012-02-05 2012-09-07 13:01:20 by 就是小新
[MS] [已完结]Dmol3 运行失败 (3/586) huangshuang1 2012-08-27 2012-09-07 11:24:46 by 水晶蚂蚁
[MS] [已完结]不等价掺杂价态的确定 (0/740) iamphfeng 2012-09-07 2012-09-07 11:12:24 by iamphfeng
[MS] [已完结]哪位大侠帮一下小弟 (0/198) 夏小莫 2012-09-07 2012-09-07 10:31:41 by 夏小莫
[Vasp&Me ] [已完结]怎么用vasp的计算结果分析分子中各原子带电多少情况 (6/1684) wang-lf09 2012-06-18 2012-09-07 08:08:41 by fjfuzhou
[MS] [已完结]castep 运行失败    ( 1 2 ) (10/1065) 菲顶顶 2012-09-01 2012-09-06 21:21:59 by liutaifeng
[MS] [已完结]关于态密度的单位。。。 (2/3846) 浩之轻扬 2012-09-06 2012-09-06 19:24:48 by 浩之轻扬
[其他] [已完结]第一性原理就算是不是高配置的计算机就可以了不需要买服务器 (3/1029) 164859319 2012-09-05 2012-09-06 16:43:57 by liuyf1110
[MS] [已完结]热力学性质的计算 (1/889) fengshiquan 2012-09-05 2012-09-06 16:33:41 by fengshiquan
[Wien2k& ] [已完结]wine2k的图形界面建立石墨烯的结构出错，求助！ (2/1247) tongji888 2012-09-05 2012-09-06 15:46:22 by tongji888
[QE(Pwsc ] [已完结]氧化锌吸附染料的pwscf计算    ( 1 2 ) (16/1968) cj4566 2012-07-13 2012-09-06 14:13:10 by yanglina062
[其他] [已完结]找人撒 (0/201) rex881026 2012-09-06 2012-09-06 10:59:39 by rex881026
[Abinit] [已完结]运行Abinit，提示illegal instruction是怎么回事 (0/253) lufly89 2012-09-06 2012-09-06 10:17:42 by lufly89
[Vasp&Me ] [已完结]计算性质时，晶格弛豫得到的CHGCAR和WAVECAR文件还有用吗？ (6/1339) future_wl 2012-08-31 2012-09-06 09:24:54 by future_wl
[MS] [已完结]AgGaS2的CC相加压下的能量计算 (3/402) lyyzhangcong 2012-09-05 2012-09-05 23:42:33 by shmilylxc
[Vasp&Me ] [已完结]做NEB计算时，初始态和终了态的结构优化收敛精度可以和各image不一样么？ (2/920) jiehade123 2012-07-14 2012-09-05 21:43:28 by manester52
[MS] [已完结]finite temperature 怎么去理解？ (4/938) 浩之轻扬 2012-09-02 2012-09-05 21:29:22 by goldenfisher
[QE(Pwsc ] [已完结]relax优化的时候force震荡该怎么办啊 (5/829) cj4566 2012-07-26 2012-09-05 15:02:08 by yanglina062
[Vasp&Me ] [已完结]问大家一个问题，关于材料计算的 (0/207) chenxin1992 2012-09-05 2012-09-05 13:14:25 by chenxin1992
[Wien2k& ] [已完结]求助WIEN 2K下载 (3/714) lchchl 2012-09-05 2012-09-05 12:26:38 by lchchl
[MS] [已完结]CASTEP中的能带隙怎么看的？ (7/2446) 浩之轻扬 2012-09-01 2012-09-05 11:53:13 by ted1277
[Vasp&Me ] [已完结]铁磁与反铁磁状态下的磁矩大小差别很大。 (0/747) liushaking 2012-09-05 2012-09-05 10:49:39 by liushaking
[QE(Pwsc ] [已完结]pwscf 安装测试出问题。。求救 (2/724) 风萧萧栖 2012-08-31 2012-09-05 09:49:56 by 风萧萧栖
[Vasp&Me ] [已完结]求助一个分割程序 (0/236) kuangfg1987 2012-09-05 2012-09-05 09:40:01 by kuangfg1987
[MS] [已完结]MS是否可以计算铁电性能 (1ST强帖+1)(7/1999) yss2790 2011-05-04 2012-09-05 06:08:46 by gswylq
[Abinit] [专家] [已完结]Abinit计算声子问题    ( 1 2 ) (10/2621) souledge 2011-12-10 2012-09-05 05:43:49 by future_wl
[MS] [已完结]从ms里导出的坐标还需要优化吗 (3/432) 707462558 2012-09-04 2012-09-04 23:04:40 by 飞行鸟
[Vasp&Me ] [已完结]不同版本vasp 计算相同的超胞的能量 差了几十个meV 这算是合理或者是有问题？    ( 1 2 ) (10/2161) stewart1922 2012-09-02 2012-09-04 21:10:20 by Joannaouc
[Vasp&Me ] [已完结]为什么力没有达到收敛标准，就提示已经达到了收敛精度，并且停止了呢？    ( 1 2 3 4 5 ) (40/3700) c03185 2012-08-05 2012-09-04 17:03:26 by c03185
[MS] [已完结]已知InI空间群，晶格参数，原胞内原子坐标，如何建模？ (0/403) jay743 2012-09-04 2012-09-04 16:57:33 by jay743
[MS] [已完结]MS里怎么用原胞的坐标建结构 (6/2220) wuhen997 2012-03-30 2012-09-04 16:32:46 by jay743
[MS] [已完结]2X2X2原子替换问题    ( 1 2 3 4 ) (30/982) fds329 2012-08-29 2012-09-04 16:27:09 by fds329
[QE(Pwsc ] [已完结]使用pwscf时候 出现 segmentation fault ( core dumped) (1/534) topten-gg 2012-08-29 2012-09-04 16:26:57 by souledge
[MS] [已完结]Materials-studio＿ 如何建构 chlorophyll-叶绿素 (2/726) doisunny 2012-07-25 2012-09-04 15:20:06 by 鹰羽龙
[MS] [已完结]如何统计MS构建的盒子中粒子间的角度值 (0/280) lifei2008 2012-09-04 2012-09-04 15:04:52 by lifei2008
[Vasp&Me ] [已完结]BaTiO3 费米面出现在了带隙顶部 我看的文献都处在 底部啊 原因是什么 (0/323) jidibinghumc 2012-09-04 2012-09-04 14:10:57 by jidibinghumc
[MS] [已完结][关贴]CASTEP计算磁性 磁矩的分布 (0/790) 李佳佳佳 2012-09-04 2012-09-04 13:39:56 by 李佳佳佳
[QE(Pwsc ] [已完结]PWGUI打不开自带的例子 (1/392) cj4566 2012-01-11 2012-09-04 12:02:47 by zhyf1986
[Vasp&Me ] [已完结]求下载 p4vasp-win-0.3.20.zip 网址已告知【已完结】 (2/1390) ApolloYang 2012-04-25 2012-09-04 10:57:43 by feynman1965
[MS] [已完结]castep 计算问题 (6/1047) 菲顶顶 2012-09-03 2012-09-04 09:58:30 by 菲顶顶
[Vasp&Me ] [已完结]VASP 优化自动停掉，OUTCAR有WARNING: aliasing errors (1/1170) prpqling 2012-09-02 2012-09-04 09:25:36 by manester52
[MS] [已完结]求助一个EOS拟合想程序 eos做E-V曲线    ( 1 2 ) (18/1302) hwceng0816 2012-09-01 2012-09-04 09:20:56 by hwceng0816
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