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[热点] 西南交通大学国家级人才团队2026年博士研究生招生（考核制）—机械、材料、力学方向 211Prof 2026-01-28 刚刚
[MS] [已完结]利用MS如何寻找ZnO的特殊K点 (2/1394) 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？ (4/490) 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 (5/1381) 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 (4/822) 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 (0/9717) 707462558 2013-02-01 2013-02-01 21:17:27 by 707462558
[MS] [已完结]交换关联势 (0/1302) 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 (8/1575) 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？ (0/327) 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 ) (27/3501) 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 (3/1262) 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 (0/307) 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 (0/736) 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 ) (13/1550) 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 (2/360) 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 ) (22/3721) 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 (8/1243) 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？ (1/941) 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？ (0/601) vallen 2013-01-29 2013-01-29 23:40:36 by vallen
[MS] [已完结]Redefine lattice (0/2359) 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 (2/2174) 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 (6/1046) 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？ (2/269) 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 (2/2108) 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？ (7/2076) 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? (0/694) 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！ (3/2595) 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 ) (12/1624) 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 (0/214) 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？？ (5/2148) 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 (9/1488) 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 (7/1350) 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 (2/390) 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？ (4/1017) 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 (0/782) 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 (8/1203) 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 (1/380) 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 (0/133) 学员H1RkcJ 2013-01-25 2013-01-25 16:09:20 by zw_tju
[MS] [已完结]DOS的问题 (8/653) 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 (0/289) 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? (1/1682) 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 (3/730) 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？ (5/1126) 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！！！！！！ (4/478) 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 (0/267) qlpsw12 2013-01-24 2013-01-24 15:43:34 by qlpsw12
[Abinit] [已完结]如何用abinit算 Bader charge ？ (1/617) 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？ (1/345) 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！ (2/273) 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 (0/1166) 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 (0/743) 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 (4/845) 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 (2/573) 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？ (0/1208) 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 (1/573) 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？ (1/381) 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 ) (18/3065) xrhinoceros 2012-05-04 2013-01-23 05:24:30 by ljzhou86
[Vasp&Me ] [已完结]linux下怎么联网呀 (4/853) 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 (1/352) 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 (0/884) 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 ) (11/5395) 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？ (0/630) lzn_t 2013-01-22 2013-01-22 17:13:09 by lzn_t
[其他] [已完结]超硬材料 (4/596) janet2012222 2012-05-23 2013-01-22 13:13:10 by jernny
[其他] [已完结]MgO缺陷问题 (7/668) ch745236751 2013-01-18 2013-01-22 11:36:15 by ch745236751
[MS] [已完结]高聚物的退火问题 (0/648) 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 (2/728) 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 (0/344) 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？ (3/967) 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 (0/350) 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 (8/1056) 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 (1/363) yushengbest 2013-01-16 2013-01-21 13:59:01 by hanfengpx
[MS] [已完结]弹性性质分析 (5/496) 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 (1/428) cocoling 2013-01-20 2013-01-21 11:26:28 by haha3852
[Vasp&Me ] [已完结]求解 (4/492) 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 (2/1109) 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 (0/275) 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？ (5/736) porominix 2013-01-19 2013-01-20 22:14:48 by lbbz323
[MS] [已完结]系综概念求助 (0/172) 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 (0/375) 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？ (3/577) aaq2800 2013-01-19 2013-01-20 15:37:15 by aaq2800
[MS] [已完结]dmol 问题 (1/426) 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 ) (10/2838) 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 (4/539) ping888 2013-01-18 2013-01-20 10:43:58 by ping888
[Vasp&Me ] [已完结]HfO2 能带计算求助 (8/1438) 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 (1/548) 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 (1/2143) 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 (2/934) 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 ) (15/1885) 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 (5/1069) lhtlx95 2013-01-18 2013-01-19 12:16:23 by muzi1984
[MS] [已完结]关于castep的STM计算 (4/1768) lushunqi 2012-03-28 2013-01-19 08:10:23 by mirror27
[Vasp&Me ] [已完结]差分电荷密度图的分析 (2/1309) 梦里花 2012-11-13 2013-01-19 00:27:20 by liufeila
[QE(Pwsc ] [已完结]input和output中的k点数目不一致 (4/762) citrine 2013-01-18 2013-01-18 21:38:14 by goldenfisher
[Vasp&Me ] [已完结]参杂后，晶格常数发生变化，那么计算出来的形成能准确吗 (5/1579) xiaoboy185 2013-01-17 2013-01-18 16:59:29 by xuefangyu09
[其他] [已完结]VMD安装问题 (1/1582) zjucy 2013-01-18 2013-01-18 15:10:05 by love5264
[Vasp&Me ] [已完结]vasp 结构优化问题    ( 1 2 ) (14/2969) guodonglin 2011-12-19 2013-01-18 14:26:05 by 星愿9997
[MS] [已完结]结构优化后计算properties的时候总是失败，需要怎么改变参数设置？ (0/1291) ycs3208 2013-01-18 2013-01-18 12:44:34 by ycs3208
[MS] [已完结]我计算的SrSi2N2O2：Eu的能带结构无带隙，求众大神分析（图） (0/275) stynazi 2013-01-18 2013-01-18 11:01:09 by stynazi
[MS] [已完结]MS 安装问题 (1/251) t13340033021 2013-01-17 2013-01-18 10:41:30 by weiyonkai
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