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[热点] 售一区SCI文章T0P，我:8O.551.O54,科目全,可十急 ELBZ6WwEaRj6 2026-11-06 刚刚
[QE(Pwsc ] [已完结]请教，关于通过PWSCF用wannier90计算介电极化和hopping integral的方法 (8/2508) identation 2011-12-25 2013-02-07 11:12:12 by iamikaruk
[Vasp&Me ] [已完结]计算的DOSCAR中怎么还有负的态密度啊？ (3/1134) Gina88 2013-02-05 2013-02-06 10:41:11 by Gina88
[其他] [已完结]恳求各位师兄、师姐、老师指导。 (0/343) 阳，lOve. 2013-02-06 2013-02-06 10:38:09 by 阳，lOve.
[QE(Pwsc ] [已完结]pwscf输入文件中怎么对 (晶体表面+真空层) 模型进行描述? (2/764) vallen 2013-02-06 2013-02-06 09:36:07 by vallen
[Vasp&Me ] [已完结]job的状态是dr (1/860) abel_zhao 2013-02-04 2013-02-05 10:32:46 by abel_zhao
[Abinit] [已完结]系统问题 (8/779) abel_zhao 2013-01-07 2013-02-05 10:32:00 by abel_zhao
[MS] [已完结]求MS5.0及windows下license (3/787) zcq90 2013-02-02 2013-02-05 10:08:56 by zxynepu
[其他] [已完结]服务器操作系统安装 (9/1444) guuzhang 2013-01-17 2013-02-04 14:37:25 by 花无刺
[MS] [已完结]利用MS如何寻找ZnO的特殊K点 (2/1544) yangfeng513 2013-02-03 2013-02-04 10:18:48 by yangfeng513
[MS] [已完结]第一性原理高压计算投什么期刊？ (4/671) hwceng0816 2013-02-02 2013-02-03 14:09:29 by hwceng0816
[MS] [已完结]如何用MS构造金属表面吸附大分子结构 (5/1683) zhangyunli 2013-01-26 2013-02-03 10:19:48 by zhangyunli
[MS] [已完结]稀土化合物加U计算 (4/1079) hwceng0816 2013-01-26 2013-02-02 20:01:54 by 提供稀土小样
[Vasp&Me ] [已完结]Connection closed by foreign host是怎么了 (0/9797) 707462558 2013-02-01 2013-02-01 21:17:27 by 707462558
[MS] [已完结]交换关联势 (0/1352) hwceng0816 2013-02-01 2013-02-01 19:44:28 by hwceng0816
[QE(Pwsc ] [已完结]纳米线的能带的高能量部分不正确 (8/2163) szdtzjz 2012-07-01 2013-02-01 16:56:55 by lfhuang
[MS] [已完结]关于晶体结构确定的问题？ (0/414) chenxin1992 2013-02-01 2013-02-01 13:34:39 by chenxin1992
[Vasp&Me ] [已完结]（BiFeO3）GGA和LDA算出来的V0都比实验值小约10~20个立方埃？请各位高手帮我检查一下    ( 1 2 3 ) (27/4151) donggaomin 2011-05-16 2013-02-01 10:22:59 by future_wl
[Vasp&Me ] [已完结]VASP 5.2.2INCAR中的LEPSILON问题 (3/1878) 刘仕晨 2013-01-30 2013-01-31 14:43:32 by future_wl
[MS] [已完结]DMOL3运行出现的问题 (0/364) synu 2013-01-31 2013-01-31 11:21:46 by synu
[MS] [已完结]Materials studio 不能粘贴小分子，求指导 (0/811) k_now 2013-01-30 2013-01-30 17:27:35 by k_now
[MS] [已完结]castep几何优化与势垒    ( 1 2 ) (13/1929) gll329748327 2012-11-22 2013-01-30 15:27:06 by gll329748327
[Siesta& ] [已完结]门电压对电流的控制问题 (2/451) forestwolf9291 2013-01-17 2013-01-30 14:46:49 by forestwolf9291
[QE(Pwsc ] [已完结]小白问题： DFT+U， GGA+U 是怎么回事    ( 1 2 3 ) (22/4246) minmin_0082003 2012-05-17 2013-01-30 11:29:15 by hanyanli0475
[Vasp&Me ] [已完结]关于vasp计算团簇的选取晶胞的问题 (8/1660) jimuchun 2013-01-26 2013-01-30 09:15:54 by jimuchun
[Vasp&Me ] [已完结]DFT计算时如何模拟金属离子？ (1/1037) hw45888792 2013-01-29 2013-01-30 03:32:46 by huxiao.gl
[Abinit] [已完结]用abinit计算表面吸附怎么样？ (0/686) vallen 2013-01-29 2013-01-29 23:40:36 by vallen
[MS] [已完结]Redefine lattice (0/2438) benzscu 2013-01-29 2013-01-29 22:37:01 by benzscu
[Vasp&Me ] [已完结]红外光谱计算原理 (2/2291) cenwanglai 2013-01-27 2013-01-29 12:59:09 by 王致远
[Siesta& ] [已完结]transiesta 左右电极和散射区 是怎么连接起来的 (6/1284) 小木虫于 2013-01-27 2013-01-29 09:47:17 by willy123
[热点前沿 ] [已完结]kilotesla是个能量单位？ (2/357) tider 2013-01-26 2013-01-28 00:33:51 by tider
[热点前沿 ] [已完结]能带图中的符号意义 (2/2273) ApolloYang 2012-12-13 2013-01-27 23:11:21 by ApolloYang
[MS] [已完结]电子由电负性大的原子转移到了电负性小的原子上，对嘛？ (7/2720) nnwang 2012-03-26 2013-01-27 18:17:04 by zyoypx
[Wien2k& ] [已完结]wien2K中怎样同时加U和SOC? (0/792) yanghaigui 2013-01-27 2013-01-27 18:02:26 by yanghaigui
[Vasp&Me ] [已完结]VASP 计算能带出错，请高手过来帮忙！ (3/3076) xiehui0608 2012-12-19 2013-01-27 17:26:05 by liliangfang
[MS] [已完结]反铁磁怎么优化后成了铁磁    ( 1 2 ) (12/2069) 芒果茶 2013-01-22 2013-01-27 15:09:27 by Lathander
[热点前沿 ] [已完结]求 懂的模拟荧光能级的高手 (0/251) xinbingjing 2013-01-27 2013-01-27 14:48:59 by xinbingjing
[Vasp&Me ] [已完结]OSZICAR中数据显示电子自洽和离子弛豫收敛标准都已经达到，为何OUTCAR还在继续算？？ (5/2688) dfjk-123 2013-01-24 2013-01-27 03:09:10 by 原来是梦8804
[Vasp&Me ] [已完结][关贴]power 7, AIX6.1系统VASP并行编译 (9/1841) wangz00 2013-01-17 2013-01-26 21:21:34 by wangz00
[MS] [已完结]关于Fe110面的最稳定吸附位置 (7/1643) luoluoasdf 2012-09-06 2013-01-26 18:43:15 by 707462558
[Vasp&Me ] [已完结][关贴]求助过渡态搜索方法的一篇文献 (2/534) wangz00 2013-01-25 2013-01-26 09:04:27 by wangz00
[Abinit] [已完结]Abinit 声子总态密度和分态密度是怎么画的？ (4/1274) 月空星痕 2012-11-28 2013-01-26 08:39:05 by huleii
[Vasp&Me ] [已完结]ERROR: while reading WAVECAR, header is corrupt怎么办 (0/830) 要坚强 2013-01-25 2013-01-25 20:59:58 by 要坚强
[Siesta& ] [已完结]关于ATK/VNL的求助 (8/1405) 木虚道长 2013-01-14 2013-01-25 20:47:33 by dagewane63
[Vasp&Me ] [已完结]帮忙看看这个提交任务的脚本有什么问题 (1/478) crante 2013-01-25 2013-01-25 20:02:52 by lchchl
[Vasp&Me ] [已完结]哪位用pathscale编译过vasp (0/182) 学员H1RkcJ 2013-01-25 2013-01-25 16:09:20 by zw_tju
[MS] [已完结]DOS的问题 (8/862) fanqy1991 2013-01-23 2013-01-25 15:07:34 by mlanqiang
[MS] [已完结]100金币求在linux下安装MS6.0 (0/343) tuhonghao 2013-01-25 2013-01-25 13:17:03 by tuhonghao
[QE(Pwsc ] [已完结]从哪里可以看出PWscf的赝势是LDA还是GGA? (1/1828) amynliou 2013-01-25 2013-01-25 10:27:05 by huazhorg
[MS] [已完结]团簇建晶格模型时团簇位置的问题 (3/849) windy1991 2013-01-24 2013-01-25 08:34:24 by zhangml_2000
[Vasp&Me ] [已完结]DFT方法算无d电子结构的带隙，效果怎么样？ (5/1371) 魔鬼中的天使 2013-01-19 2013-01-24 22:19:09 by 魔鬼中的天使
[Abinit] [已完结]怎么计算Raman coefficient.急！！！！！！ (4/618) crante 2013-01-24 2013-01-24 19:51:03 by crante
[MS] [已完结]请教几个和ZnO能带有关的概念 (0/320) qlpsw12 2013-01-24 2013-01-24 15:43:34 by qlpsw12
[Abinit] [已完结]如何用abinit算 Bader charge ？ (1/713) sulei0 2012-06-09 2013-01-24 12:20:15 by voleyes
[Abinit] [已完结]abinit 中用molecule dynamics怎么键入命令启动呢？ (1/432) 天气就是风景 2012-10-28 2013-01-24 12:09:50 by voleyes
[MS] [已完结]在win7装MS4.4时license出现问题，请各位虫友帮忙指点！ (2/381) 大草原 2013-01-22 2013-01-23 19:04:45 by 大草原
[Vasp&Me ] [已完结]【紧急求助】多原子晶体反铁磁计算，磁矩设置 (0/1233) hythen 2013-01-23 2013-01-23 17:40:21 by hythen
[MS] [已完结]怎么向Gridview计算平台提交任务 castep (0/850) 与狼共舞701 2013-01-23 2013-01-23 16:39:47 by 与狼共舞701
[MS] [已完结]MS5.5 计算问题 (4/1109) hellrose 2012-04-11 2013-01-23 13:31:32 by xylz6188
[其他] [已完结]急phonopy安装问题，.bashrc编辑问题 (2/704) chris玲0 2013-01-11 2013-01-23 13:31:04 by 刘仕晨
[MS] [已完结]怎样从掺杂后体系的能带图确认其能隙变化？ (0/1357) lzn_t 2013-01-23 2013-01-23 10:44:14 by lzn_t
[Vasp&Me ] [已完结]有关势垒高度的一些问题 (1/650) xiaoluoj 2013-01-22 2013-01-23 10:17:00 by anlen0615
[Vasp&Me ] [已完结]表面计算态密度时，为什么费米能和静态计算时的费米能不同？ (1/537) 星愿9997 2013-01-22 2013-01-23 10:08:03 by 星愿9997
[QE(Pwsc ] [已完结]pwscf和vasp处理spin orbit coupling是一样的么？    ( 1 2 ) (18/3939) xrhinoceros 2012-05-04 2013-01-23 05:24:30 by ljzhou86
[Vasp&Me ] [已完结]linux下怎么联网呀 (4/1119) 707462558 2013-01-21 2013-01-22 23:28:27 by lbbz323
[Vasp&Me ] [已完结]puTTY 怎么连接不到服务器呀 (1/421) 707462558 2013-01-22 2013-01-22 22:31:34 by 707462558
[Vasp&Me ] [已完结]VASP計算出?淼� number of electrons and magnetization 錯誤 (0/981) profya 2013-01-22 2013-01-22 19:52:07 by profya
[MS] [已完结]关于硅能带图和态密度分析    ( 1 2 ) (11/6287) yaoo_1 2011-11-20 2013-01-22 17:50:44 by liuupc919
[MS] [已完结]怎样确定计算晶格的带隙大小？ (0/705) lzn_t 2013-01-22 2013-01-22 17:13:09 by lzn_t
[其他] [已完结]超硬材料 (4/754) janet2012222 2012-05-23 2013-01-22 13:13:10 by jernny
[其他] [已完结]MgO缺陷问题 (7/864) ch745236751 2013-01-18 2013-01-22 11:36:15 by ch745236751
[MS] [已完结]高聚物的退火问题 (0/713) yida 2013-01-22 2013-01-22 10:08:35 by yida
[Wien2k& ] [已完结]wien2k计算电子能量损失谱出错 (2/909) bjwang 2013-01-16 2013-01-22 09:15:05 by bjwang
[Abinit] [已完结]台湾中正大学abinit_bm,abinit_str,abinit_dos和abinit_ldos (0/418) huleii 2013-01-22 2013-01-22 08:59:28 by huleii
[MS] [已完结]在win7上安装ms6.0的球棍模型，球为什么是透明的？ (3/1160) wushujie 2013-01-21 2013-01-22 08:57:46 by hybren
[Wien2k& ] [已完结]光学性质计算中出现问题，求高手解决 (0/401) 苦行客 2013-01-21 2013-01-21 21:11:54 by 苦行客
[Vasp&Me ] [已完结]计算大体系时总崩溃 (8/1474) nkleof 2012-09-27 2013-01-21 18:28:02 by 西山一
[MS] [已完结]用Dmol优化石墨烯过程，出现一个问题，谁知道是怎么回事 (1/445) yushengbest 2013-01-16 2013-01-21 13:59:01 by hanfengpx
[MS] [已完结]弹性性质分析 (5/653) x163_yu 2013-01-20 2013-01-21 12:45:00 by souledge
[其他] [已完结]求国家基金申请专家推荐信 (1/517) cocoling 2013-01-20 2013-01-21 11:26:28 by haha3852
[Vasp&Me ] [已完结]求解 (4/670) doneking 2013-01-19 2013-01-21 10:50:13 by future_wl
[其他] [已完结]用vesta软件画两层膜之间的原子结构 (2/1305) 纳米材料753 2013-01-20 2013-01-21 03:31:49 by xhmaohan
[Vasp&Me ] [已完结]求助：MedeA substituion search 中一个细节 (0/322) fangyongxinxi 2013-01-20 2013-01-20 22:22:04 by fangyongxinxi
[资源] [已完结]在win7装好的MS5.5能直接拷到XP运行吗？ (5/908) porominix 2013-01-19 2013-01-20 22:14:48 by lbbz323
[MS] [已完结]系综概念求助 (0/220) hanfengpx 2013-01-20 2013-01-20 21:08:11 by hanfengpx
[Vasp&Me ] [已完结]为什么我编译的vasp单核运行的时候占据3-4个核 (0/443) xmc212 2013-01-20 2013-01-20 17:05:47 by xmc212
[MS] [已完结]Dmol算热力学性质怎么设置温度？ (3/715) aaq2800 2013-01-19 2013-01-20 15:37:15 by aaq2800
[MS] [已完结]dmol 问题 (1/533) qujinfeng 2012-04-06 2013-01-20 14:28:36 by zhuhy1116
[Vasp&Me ] [已完结]采用LDA+U计算SnO2的能带结构，U值越大，带隙越小？    ( 1 2 ) (10/3697) paopaotu326 2012-12-27 2013-01-20 11:11:25 by paopaotu326
[MS] [已完结]求助：Co3d6在MS中怎么设置自旋 (4/737) ping888 2013-01-18 2013-01-20 10:43:58 by ping888
[Vasp&Me ] [已完结]HfO2 能带计算求助 (8/2071) hlmemory 2012-11-09 2013-01-20 10:38:15 by hlmemory
[Vasp&Me ] [已完结]vasp杂化泛函算能带 (1/628) mika 2013-01-19 2013-01-20 10:36:33 by colinchen2
[Vasp&Me ] [已完结]VASP LMAXMIX 对磁性的影响 (1/2249) jidibinghumc 2013-01-10 2013-01-19 14:12:18 by Lathander
[Vasp&Me ] [已完结]VASP 结构优化 或者NEB计算 经常卡壳 (2/1155) emilyoyang 2013-01-14 2013-01-19 14:04:38 by Lathander
[MS] [已完结]求助：关于CASTEP计算文章的审稿意见，谢谢！    ( 1 2 ) (15/2299) hecking 2013-01-14 2013-01-19 13:56:01 by Lathander
[MS] [已完结]XP下安装MS5.5的license出现问题，请大家帮忙 (5/1469) lhtlx95 2013-01-18 2013-01-19 12:16:23 by muzi1984
[MS] [已完结]关于castep的STM计算 (4/2065) lushunqi 2012-03-28 2013-01-19 08:10:23 by mirror27
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