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[热点] 面上可以超过30页吧？ 阿拉贡aragon 2026-02-28 刚刚
[Vasp&Me ] [已完结]请问VASP如何设置自旋轨道耦合的强度？ (0/587) leehb870605 2012-03-30 2012-03-30 10:32:21 by leehb870605
[Vasp&Me ] [已完结]形成能计算中的Makov-Payne 修正 (0/1281) sleep桉 2012-03-29 2012-03-29 21:41:50 by sleep桉
[Vasp&Me ] 关于建POSCAR文件时 对于0.5占据的处理办法 (6/1056) xingyexue 2012-03-28 2012-03-29 21:36:58 by tfl03
[Vasp&Me ] [已完结]怎么根据态密度图积分算区间的电子数 (8/3190) dfy50 2012-03-27 2012-03-29 16:07:39 by dfy50
[Vasp&Me ] [已完结]有没有办法在平移多个原子 (7/1328) lascqy 2012-03-28 2012-03-29 13:00:12 by xueht987
[Vasp&Me ] [已完结]vasp计算磁性的问题 (5/1545) guodonglin 2012-03-28 2012-03-29 11:09:35 by guodonglin
[Vasp&Me ] [已完结]静态自洽计算的sigma设置 (4/1433) burwoad 2012-03-25 2012-03-29 11:07:19 by guodonglin
[Vasp&Me ] 用E-V曲线优化结构的时候，能量取哪个？ (8/1223) byin 2012-03-24 2012-03-28 20:00:35 by byin
[Vasp&Me ] [已完结]DOSCAR中的integrated DOS是怎么算的？ (9/2406) wujiandongde 2011-08-23 2012-03-28 09:55:57 by thinkllh
[Vasp&Me ] [已完结]Vasp中删除一个键 输入文件如何表现出来？ (评阅-10) (8/1757) liuhuimeiwoo 2011-06-13 2012-03-28 09:50:13 by liuhuimeiwoo
[Vasp&Me ] [已完结]求助物性分析方法 (0/234) sands1978 2012-03-28 2012-03-28 09:23:00 by sands1978
[Vasp&Me ] [已完结]从vasp4.6到5.2 需要注意哪些变化 (6/847) fengangelo 2012-03-19 2012-03-28 09:17:04 by liliangfang
[Vasp&Me ] [已完结]关于xscrysden中的电荷密度图 (5/1221) xiaoboy185 2012-03-20 2012-03-27 22:40:22 by xiaoboy185
[Vasp&Me ] [已完结]vasp 作用力 (0/108) liuqun 2012-03-27 2012-03-27 21:05:42 by liuqun
[Vasp&Me ] [已完结]这个结构用于能带计算的特殊K点如何写？ (8/845) c03185 2012-03-27 2012-03-27 20:56:58 by huangll99
[Vasp&Me ] [已完结]团簇 (1/298) 171713294 2012-03-27 2012-03-27 15:34:25 by calos818
[Vasp&Me ] [已完结]SnO2态密度 (4/532) dfy50 2012-03-27 2012-03-27 15:13:56 by huangll99
[Vasp&Me ] [已完结]什么是 transiton energy，transfer level (0/444) xiaoluoj 2012-03-27 2012-03-27 14:39:07 by xiaoluoj
[Vasp&Me ] [已完结]急解决！MS构建晶面在VASP中作为POSCAR文件出现以下问题 (0/1643) liufeila 2012-03-27 2012-03-27 14:34:07 by liufeila
[Vasp&Me ] [已完结]关于分子动力学的几个问题 (1/705) hadone 2012-03-27 2012-03-27 12:39:21 by enola
[Vasp&Me ] [已完结]怎么观看neb计算得到的xyz动画文件 (3/1605) jiehade123 2012-03-25 2012-03-27 12:29:41 by enola
[Vasp&Me ] [已完结]自洽不收敛 (3/1609) guodonglin 2012-03-27 2012-03-27 10:23:38 by xueht987
[Vasp&Me ] vasp求助 (7/1057) 171713294 2012-03-25 2012-03-27 10:17:52 by calos818
[Vasp&Me ] [已完结]求助间隙位置搜索软件 (4/1039) huanghe8636 2012-03-26 2012-03-26 22:17:37 by calos818
[Vasp&Me ] [已完结]vasp计算体弹性模量出问题 (2/1237) yi315730581 2012-03-26 2012-03-26 20:30:18 by yi315730581
[Vasp&Me ] [已完结][关贴]求文献 (1/166) tt-0-8 2012-03-25 2012-03-26 09:22:22 by tt-0-8
[Vasp&Me ] [已完结]用vasp优化carbon nanotube的参数设置 (0/147) stewart1922 2012-03-25 2012-03-25 21:58:20 by stewart1922
[Vasp&Me ] 空位缺陷势垒计算 (1/1175) jixiao0526 2012-03-24 2012-03-25 19:22:38 by lfzlpd
[Vasp&Me ] [已完结]为什么不能进行能带和太密度计算 (2/673) x夏日的约定 2012-03-24 2012-03-25 18:38:56 by x夏日的约定
[Vasp&Me ] [已完结]氧化亚铜相关问题 (0/347) panhaijun 2012-03-25 2012-03-25 15:15:03 by panhaijun
[Vasp&Me ] [已完结]求S单质的POSCAR (3/1541) 轻轻飘过之 2012-03-24 2012-03-25 14:53:17 by huangll99
[Vasp&Me ] [已完结]关于carbon nanotube的电磁学性质 (3/1066) stewart1922 2012-03-24 2012-03-25 14:19:05 by stewart1922
[Vasp&Me ] [已完结]LORBIT 设置 (1/1813) tt-0-8 2012-03-24 2012-03-24 22:15:18 by fzx2008
[Vasp&Me ] [已完结]提取DOS数据出现以下问题    ( 1 2 ) (10/2098) tt-0-8 2012-03-22 2012-03-24 21:00:27 by repent03
[Vasp&Me ] [已完结]如何计算空位部分所带的电子 (5/1261) xiaoboy185 2012-03-18 2012-03-24 20:53:40 by xiaoboy185
[Vasp&Me ] [已完结]求phononpy或frophon安装包    ( 1 2 ) (14/2973) tt-0-8 2012-03-15 2012-03-24 20:15:44 by tt-0-8
[Vasp&Me ] [已完结]如何处理自旋计算产生的能带 (3/1557) fly_elephan 2012-03-23 2012-03-24 10:57:04 by 贺仪
[Vasp&Me ] [已完结]在vasp中计算团簇如何编译 (6/1207) 171713294 2012-03-23 2012-03-23 21:34:13 by 171713294
[Vasp&Me ] [已完结]求助KH晶格参数，急! (3/693) 星愿9997 2012-03-23 2012-03-23 19:27:51 by 星愿9997
[Vasp&Me ] [已完结]Single particle electron energy states 的计算方法 (4/1457) 轻轻飘过之 2012-03-04 2012-03-23 17:46:13 by 轻轻飘过之
[Vasp&Me ] [关贴]VASP结果可视化 (8/1789) jixiao0526 2012-03-21 2012-03-23 17:42:52 by jixiao0526
[Vasp&Me ] [已完结]fftmpi.f90(547): error #6460: (0/624) bjmaowei25 2012-03-23 2012-03-23 15:22:28 by bjmaowei25
[Vasp&Me ] 【求助】安装vasp出错 make: *** [fftmpi_map.o] 错误 1【已解决】 (6/3034) chuyong 2011-03-29 2012-03-23 10:50:21 by bjmaowei25
[Vasp&Me ] [已完结]KH的晶格参数 (0/341) liu108 2012-03-21 2012-03-22 20:28:33 by liu108
[Vasp&Me ] [已完结]关于OUTCAR中lattice vectors的疑惑 (2/874) forestwolf9291 2012-03-22 2012-03-22 15:42:38 by forestwolf9291
[Vasp&Me ] [已完结]pseudo-Hydrogen US-LDA (0/256) cbFeng200881 2012-03-20 2012-03-22 15:37:31 by cbFeng200881
[Vasp&Me ] [已完结]IBRION=8 restart (0/174) jianghong516 2012-03-21 2012-03-22 15:31:30 by jianghong516
[Vasp&Me ] [已完结]有没有方法能把算好的POSCAR转为MS的XSD或者其能识别的格式 (1/361) lascqy 2012-03-22 2012-03-22 15:21:30 by zzy870720z
[Vasp&Me ] [已完结]能带计算过程 (4/1055) zhoudayan2 2012-03-21 2012-03-22 09:46:37 by thinkllh
[Vasp&Me ] 【求助成功】Band－procar 和Dos－procar 程序执行出错 (8/2935) chk0521 2010-06-21 2012-03-21 21:45:22 by repent03
[Vasp&Me ] [已完结]有木有人用getcif.pl这个脚本把POSCAR转换为cif文件的 (4/1836) dfy50 2012-03-20 2012-03-21 17:40:54 by huangll99
[Vasp&Me ] [已完结]形成能啊~ 纠结 (3/1003) dfy50 2012-03-20 2012-03-21 15:38:25 by dfy50
[Vasp&Me ] [已完结]请教Ce的赝势 (3/1105) lgxyz 2011-10-09 2012-03-21 14:24:07 by liuchongsc
[Vasp&Me ] [已完结]安装python出现以下错误原因？ (2/360) tt-0-8 2012-03-20 2012-03-21 10:17:18 by tt-0-8
[Vasp&Me ] [已完结]SnO2掺杂Ga之后，没有磁矩，请问是否有可能是参数设置问题？ (2/543) 学员Wh9wTw 2012-03-20 2012-03-21 08:40:08 by lnzwyh
[Vasp&Me ] [已完结]Problem when carrying out the GW method calc (5/981) tider 2011-12-11 2012-03-21 07:06:24 by ApolloYang
[Vasp&Me ] [已完结]关于等价掺杂，不等价掺杂 (0/857) xiaoluoj 2012-03-20 2012-03-20 20:57:46 by xiaoluoj
[Vasp&Me ] [已完结]求能够处理f轨道的split_dos程序，谢谢 (0/437) zsl_321123 2012-03-20 2012-03-20 11:06:00 by zsl_321123
[Vasp&Me ] ifort12下编译VASP5.2 (3/1552) zhufeng45890 2012-03-16 2012-03-20 09:00:34 by 04nylxb
[Vasp&Me ] [已完结]表面分子吸附的几何优化 (5/2130) Tea_Candy 2012-02-16 2012-03-19 11:36:10 by hwying
[Vasp&Me ] [已完结]K点 M G (0/539) liuqun 2012-03-18 2012-03-18 21:28:44 by liuqun
[Vasp&Me ] [已完结]能带图 绝缘体取代掺杂 金属 (2/255) tuhaidan 2012-03-16 2012-03-18 21:22:17 by tuhaidan
[Vasp&Me ] [已完结][关贴]计算ELF出现堆栈错误 (0/299) guodonglin 2012-03-18 2012-03-18 17:00:45 by guodonglin
[Vasp&Me ] [已完结]能带折叠 (1/538) bananawuzhu 2012-03-16 2012-03-18 10:37:29 by zhangcm000
[Vasp&Me ] [已完结]运行已经编译好的资源：vasp52opt.rar 出现并行不能用的问题！ (3/2147) zhengjifine 2012-03-17 2012-03-18 09:36:59 by tangsw911
[Vasp&Me ] [已完结]vasp 错误，为什么会出现这种错误？ (2/367) xiehui0608 2012-03-17 2012-03-17 11:39:53 by uuv2010
[Vasp&Me ] [已完结]单斜晶系做能带怎么表示高对称点 (1/1770) suhuang 2012-03-16 2012-03-16 22:53:58 by suhuang
[Vasp&Me ] 纯vasp计算高影响因子文章一篇（2012，EES, IF~10） (评阅+2) (1/656) cenwanglai 2012-03-16 2012-03-16 16:33:13 by zzy870720z
[Vasp&Me ] [已完结]编译vasp (0/123) tangsw911 2012-03-16 2012-03-16 10:45:18 by tangsw911
[Vasp&Me ] 请问能用DFT方法计算一个体系中原子由于所处位置不同而势能不同，能输出原子势能吗 (4/1989) 675932406 2012-03-14 2012-03-16 09:27:48 by 675932406
[Vasp&Me ] 集群中解压安装lev00出现了错误 (0/258) 正月圆月 2012-03-15 2012-03-15 21:33:48 by 正月圆月
[Vasp&Me ] [已完结]ISMEAR 与SIGMA在INCAR中对于原子团簇如何设置 (0/833) zhoudayan2 2012-03-15 2012-03-15 21:11:59 by zhoudayan2
[Vasp&Me ] [已完结]vasp 如何计算压强？ (1/3079) 木愚 2012-03-15 2012-03-15 19:40:09 by fanarsenal
[Vasp&Me ] vasp如何计算价带顶和导带底的电荷密度？ (1/4010) llilanlanabc 2012-03-15 2012-03-15 16:01:57 by 20084032134
[Vasp&Me ] [请教大家]关于VASP 4.6 安装过程中的优化问题 (0/345) qzhost 2012-03-15 2012-03-15 12:29:30 by qzhost
[Vasp&Me ] [已完结]关于PDOS图的一个疑问    ( 1 2 ) (10/1998) abel_zhao 2012-03-14 2012-03-15 09:31:28 by abel_zhao
[Vasp&Me ] [已完结]wavefunction的奇偶性 (0/201) crante 2012-03-15 2012-03-15 08:49:35 by crante
[Vasp&Me ] [已完结]想计算So2 分子的总能怎么写POSCAR (2/317) xx2008 2012-03-14 2012-03-14 22:15:23 by xx2008
[Vasp&Me ] 在HSE能带数据处理中的问题及解决 (评阅+3) (1/981) lascqy 2012-03-14 2012-03-14 16:18:59 by WDD880227
[Vasp&Me ] 【求助】20金币求VASP编译软件 Fortran编译器和单机安装VASP4.6的过程 (4/1995) lucheng336 2010-06-11 2012-03-14 07:54:35 by lucheng336
[Vasp&Me ] [已完结]vasp4.6异常终止 killed by signal 9 (2/2819) fjlanx2 2012-03-13 2012-03-13 12:46:18 by fjlanx2
[Vasp&Me ] [已完结]用vasp计算纯石墨烯的能带时，dirac点是打开的，带隙不为零 (7/2891) tianman 2012-03-07 2012-03-13 09:13:24 by tianman
[Vasp&Me ] [已完结]为什么老死节点    ( 1 2 ) (10/1007) wujing110 2011-11-01 2012-03-12 18:11:25 by 建军
[Vasp&Me ] [已完结]30金币求计算LiFePO4的能带的处理脚本 (7/876) wujing110 2011-11-03 2012-03-12 18:09:22 by 建军
[Vasp&Me ] [已完结]请教有关 spin gapless semiconductor 的问题 (0/215) stewart1922 2012-03-12 2012-03-12 18:03:19 by stewart1922
[Vasp&Me ] [已完结]split-dos处理分态密度 (2/403) dfy50 2012-03-12 2012-03-12 16:16:38 by uuv2010
[Vasp&Me ] [已完结][关贴]求Solid States Communication论文的投稿格式 (1/274) jugengfans 2012-03-10 2012-03-11 15:55:27 by jugengfans
[Vasp&Me ] [已完结]购买vasp咨询 (2/415) xiaogai 2012-03-09 2012-03-11 10:17:15 by enola
[Vasp&Me ] [已完结]优化时候温度设置    ( 1 2 ) (10/2551) xiaoboy185 2012-02-28 2012-03-11 10:10:01 by enola
[Vasp&Me ] 新手求助在vasp的ftp服务器上下载相关问题 (4/790) 信任开花 2012-03-11 2012-03-11 09:28:21 by liliangfang
[Vasp&Me ] [已完结]对不同价态的原子如何设定DFT+U？ (6/1855) burwoad 2011-12-18 2012-03-09 20:16:24 by burwoad
[Vasp&Me ] vasp离子弛豫不收敛，求方法 (评阅+30) (31/3664) byin 2011-09-20 2012-03-09 18:14:53 by 孤傲隐者
[Vasp&Me ] [已完结]线性响应理论 DFT+U (1/1309) hn19870519 2012-03-09 2012-03-09 12:38:04 by fzx2008
[Vasp&Me ] POSCAR中有空行有没有关系？ (2/327) ffzx 2012-03-08 2012-03-09 10:40:49 by kmw.8668
[Vasp&Me ] 【原创】收敛测试！ (15/3120) xbelinda 2009-12-23 2012-03-09 06:23:51 by flymice
[Vasp&Me ] [已完结]请教NEB收敛判据中能量的设置 (6/1714) 04nylxb 2012-02-08 2012-03-08 23:48:29 by suhuang
[Vasp&Me ] [已完结][关贴]寻求vasp.4.6.31或者vasp.4.34以上版本的源码，盼与达人学习探讨其中的计算方法 (0/175) 信任开花 2012-03-08 2012-03-08 22:25:50 by 信任开花
[Vasp&Me ] [已完结]结构优化 POSCAR CONTCAR相差甚远 (0/567) tuhaidan 2012-03-08 2012-03-08 22:01:48 by tuhaidan
[Vasp&Me ] [已完结]请问vasp是把费米能级移到导带低的吗？ (6/3559) seaso 2012-03-05 2012-03-08 18:55:47 by seaso
[Vasp&Me ] [已完结]VASP 总收敛为亚铁磁，如何限定磁矩计算？ (0/689) hadone 2012-03-08 2012-03-08 18:43:38 by hadone
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