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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 2026-02-03 刚刚
[Vasp&Me ] lev00 画图老出现问题,错在哪了? (9/1578) kmw.8668 2011-09-21 2011-09-23 08:19:37 by bingmou
[Vasp&Me ] 表面上一个氧分子的生命历程 (评阅+2) (8/861) cavediger 2011-05-18 2011-09-22 22:49:59 by cenwanglai
[Vasp&Me ] [已完结]求助:ENCUT值验证选不出合适的取值!! (1/306) daidai~ 2011-09-22 2011-09-22 15:56:50 by leehb870605
[Vasp&Me ] [已完结]集群上运算出错 (2/308) fengshiquan 2011-09-20 2011-09-22 14:57:01 by fengshiquan
[Vasp&Me ] 计算空位能 (11/1532) fengshiquan 2011-06-21 2011-09-22 10:42:43 by fengshiquan
[Vasp&Me ] [已完结]麻烦各位帮忙看看是否为出错信息!! (2/287) daidai~ 2011-09-20 2011-09-21 14:44:04 by daidai~
[Vasp&Me ] [已完结]如何计算不同压力下(0~30GPa)氢分子的能量 (1/640) xiaoqiu007 2011-04-19 2011-09-21 12:39:17 by yinwei_li
[Vasp&Me ] 【求助】xftp不能运行 (2/682) bird007 2011-04-04 2011-09-20 22:58:51 by bird007
[Vasp&Me ] 【求助】NEB算鞍点 过渡态    ( 1 2 ) (12/2189) chuchu6816 2010-05-28 2011-09-20 22:40:08 by wujing110
[Vasp&Me ] [已完结]VASP进程僵死,有人遇到过没有? (5/913) dyc_2008 2011-09-19 2011-09-20 18:00:21 by windring
[Vasp&Me ] [已完结]谁做过224个LiFePO的弛豫啊。。。求救 (6/1231) wujing110 2011-09-19 2011-09-20 14:40:09 by wujing110
[Vasp&Me ] [已完结]vasp动力学模拟怎么看结果呢 (0/194) xiaoxiao136 2011-09-20 2011-09-20 14:37:55 by xiaoxiao136
[Vasp&Me ] 请问FFT-Grid的位置 (2/681) byin 2011-09-18 2011-09-20 09:00:33 by byin
[Vasp&Me ] [已完结]为什么画出的对关联函数第三峰刚开始,之后的函数值就全变为零了,怎么解决这个问题 (5/976) 正月圆月 2011-09-17 2011-09-20 07:46:42 by gtssongchi
[Vasp&Me ] [已完结]NEB中原子越过周期性边界的问题 (2/672) vodka 2011-09-18 2011-09-20 05:27:22 by bingmou
[Vasp&Me ] [已完结]如何计算判断材料的透明度 (评阅+1) (6/833) TIGERYZZ 2011-06-27 2011-09-19 11:18:38 by buct2010
[Vasp&Me ] [已完结]急求MnPt的B2相的晶格参数 (1/191) wangla 2011-09-18 2011-09-19 06:46:01 by valenhou001
[Vasp&Me ] [已完结]倒空间坐标和实空间坐标怎么转换 (6/3703) 学员UKbkc5 2011-09-15 2011-09-17 15:12:34 by souledge
[Vasp&Me ] [已完结]请教vasp计算能带的几个问题 (1/385) yshl7237 2011-09-16 2011-09-17 09:38:41 by uuv2010
[Vasp&Me ] [已完结]vasp 中能用 GW算能带吗? (1ST强帖+1)(7/1584) yshl7237 2011-05-24 2011-09-16 22:45:26 by lfzlpd
[Vasp&Me ] [已完结]VASP error求助! (3/1377) langren24 2011-09-09 2011-09-16 20:15:07 by 06022043
[Vasp&Me ] [已完结]VASP表面驰豫真空层设置 (9/2729) leehb870605 2011-09-15 2011-09-16 19:38:49 by leehb870605
[Vasp&Me ] 精华I【原创】好消息:可视化VASP的分子轨道的转换程序vaspmo    ( 1 2 3 ) (+4) (评阅+5) (21/5626) neweroica 2010-01-25 2011-09-16 16:54:56 by liujuan8704
[Vasp&Me ] [已完结]用GotoBLAS2编译VASP成功,换成mkl的BLAS则编译失败 (3/782) freewain 2011-09-15 2011-09-16 12:19:49 by freewain
[Vasp&Me ] [已完结]能带能量与体系平均势能的联系 (0/627) enola 2011-09-16 2011-09-16 10:27:59 by enola
[Vasp&Me ] [已完结]VMD 导入CHGCAR出现问题 (4/1000) 韩D小希 2011-09-14 2011-09-16 08:19:27 by 韩D小希
[Vasp&Me ] [已完结]VASP如何计算某一能级对应的波函数 (2/936) 韩D小希 2011-09-15 2011-09-16 08:18:45 by 韩D小希
[Vasp&Me ] [已完结]VASP驰豫自动停止问题。。 (9/2132) leehb870605 2011-09-08 2011-09-15 19:52:40 by leehb870605
[Vasp&Me ] [已完结]求vaspview安装包 (2/458) thelrgbird 2011-09-14 2011-09-15 12:22:08 by youzhizhe
[Vasp&Me ] [已完结]VASP编译过程中的CPP参数 (4/787) lascqy 2011-09-13 2011-09-15 08:54:31 by 锐利的碎片
[Vasp&Me ] [已完结]vasp程序阅读 (5/538) 困龙 2011-09-14 2011-09-14 22:17:18 by uuv2010
[Vasp&Me ] 这是一种什麽样的计算方法? (4/606) kmw.8668 2011-08-30 2011-09-14 09:51:01 by dxcharlary
[Vasp&Me ] [已完结]vasp计算:优化能收敛,但同样的设置静态计算不收敛 (3/2624) gougou531 2011-09-13 2011-09-14 09:28:32 by haowenping
[Vasp&Me ] [已完结]内层电子缺失如何计算形成能啊?? (1/305) 大瑶Alice 2011-09-13 2011-09-13 21:14:37 by hakuna
[Vasp&Me ] [已完结]晶格常数优化 (7/2346) enola 2011-09-12 2011-09-13 15:09:25 by enola
[Vasp&Me ] [已完结]如何查看服务器vasp是不是并行编译的? (2/655) yk2425 2011-09-13 2011-09-13 14:08:48 by enola
[Vasp&Me ] [已完结][关贴]这样的结构图是什么软件画的 (3/1508) guitar2033 2011-09-13 2011-09-13 14:05:20 by enola
[Vasp&Me ] [已完结]晶格格式 (2/240) lucyyyh 2011-09-11 2011-09-13 09:30:01 by 锐利的碎片
[Vasp&Me ] 晶格常数和能量是这种形式? (3/1167) pgi1706 2011-09-08 2011-09-10 21:41:01 by pgi1706
[Vasp&Me ] [已完结]如何用VASP计算表面缺陷 (4/1782) laplacetalor 2011-09-09 2011-09-10 18:39:52 by uuv2010
[Vasp&Me ] [已完结]CH4在Ir(111)表面的解离吸附过渡态计算:Henkelman的PRL文章    ( 1 2 ) (评阅+2) (10/4285) cenwanglai 2011-08-20 2011-09-10 17:10:03 by hakuna
[Vasp&Me ] [已完结]Vesta图中,部分原子的大小或颜色怎么变 (5/9823) 285058420 2011-09-08 2011-09-09 09:34:56 by 贺仪
[Vasp&Me ] [已完结]VASP画能带时非自洽计算的KPOINTS怎么得到? (5/2680) 韩D小希 2011-08-26 2011-09-09 07:47:00 by utdwang
[Vasp&Me ] [已完结]求助,谁有fsshclient.exe使用教程啊? (0/298) tianman 2011-09-08 2011-09-08 20:56:03 by tianman
[Vasp&Me ] [已完结]在vasp官方论坛看到一段如下代码,不知道如何使用,请各位指教 (5/1327) 信任开花 2011-09-07 2011-09-08 12:43:25 by 信任开花
[Vasp&Me ] [已完结]VASP导致异常导致电脑重启,请教达人? (6/2007) dyc_2008 2011-09-05 2011-09-07 22:45:20 by 顺水
[Vasp&Me ] 第一性原理活动 (9/1601) 胡同学 2011-09-06 2011-09-07 18:27:31 by bbhuang
[Vasp&Me ] [已完结]Medea Vasp安装完后,提交任务,但任务根本没有被计算,求教原因。 (1/544) landian666 2011-09-07 2011-09-07 16:56:53 by 后天一
[Vasp&Me ] [已完结]如何求H2的bingding energy (2/713) 215215 2011-09-06 2011-09-07 13:53:51 by lfhuang
[Vasp&Me ] [已完结]不等价掺杂里面有什么特别的问题要注意 吗? (4/1283) liuhuimeiwoo 2011-09-06 2011-09-07 09:33:01 by liuhuimeiwoo
[Vasp&Me ] [已完结][关贴]不知哪位还在使用vasp.4.31版本,不知能否发给我一份,非常感谢! (4/734) 信任开花 2011-09-06 2011-09-06 17:42:20 by burwoad
[Vasp&Me ] [已完结]BRION应该选几呢?    ( 1 2 ) (10/1222) Gina88 2011-08-31 2011-09-06 14:03:02 by Gina88
[Vasp&Me ] [已完结]请教——计算的电介质与金属功函数差偏大 (0/353) issac998 2011-09-05 2011-09-05 15:11:12 by issac998
[Vasp&Me ] [已完结]vasp结构优化时出现问题 大家帮忙解决下吧 (3/970) 韩D小希 2011-08-30 2011-09-05 08:33:42 by 韩D小希
[Vasp&Me ] [已完结]用vasp做分子结构的优化,为什么不能执行计算? (2/829) liuyan8611 2011-09-04 2011-09-04 20:29:34 by 后天一
[Vasp&Me ] [已完结]vasp 在parallel 3dFFT wavefunction 后死掉 (1ST强帖+1)(4/2796) csi505 2011-09-02 2011-09-04 20:21:45 by 后天一
[Vasp&Me ] [已完结]spin-orbit怎么用啊? (6/1785) langren24 2011-08-29 2011-09-04 17:16:34 by langren24
[Vasp&Me ] [已完结]请教 相似的晶体结构怎么利用第一性原理讨论他们的关联性? (0/149) lizhiyi1017 2011-09-04 2011-09-04 15:16:40 by lizhiyi1017
[Vasp&Me ] [已完结]vasp 并行运算出错 (8/1561) gjh123 2011-09-02 2011-09-04 08:24:31 by liliangfang
[Vasp&Me ] [已完结]VASP计算失败求助! (8/1548) langren24 2011-09-01 2011-09-03 21:23:58 by akakcolin
[Vasp&Me ] [已完结]vasp计算非线性磁矩 (1/2665) dhc198611 2011-09-03 2011-09-03 16:19:53 by langren24
[Vasp&Me ] [已完结]VASP计算 (4/1000) zxgxbh2008 2011-09-02 2011-09-03 09:43:17 by liliangfang
[Vasp&Me ] [已完结][关贴]求助怎么用ELFCAR的数据作图如何作图? (1/897) rik203 2011-09-02 2011-09-02 20:14:53 by 贺仪
[Vasp&Me ] [已完结]请大侠帮看一下74个原子ENCUT测试应该选哪个值? (9/1360) Gina88 2011-08-31 2011-09-02 13:37:51 by Gina88
[Vasp&Me ] 【其他】vasp_band.exe处理的数据怎么最后不一样啊? (1ST强帖+1)(15/3134) Gina88 2011-04-04 2011-09-02 10:50:31 by guolianshun
[Vasp&Me ] [已完结]vasp求助! vasp计算电荷密度差,DOS,能带 (0/355) xiehui0608 2011-09-02 2011-09-02 10:48:50 by xiehui0608
[Vasp&Me ] [已完结]重金求VASP 5.2 GW计算过程 (3/933) 子虚乌有5388 2011-09-01 2011-09-02 10:36:53 by 后天一
[Vasp&Me ] [已完结]高分求助有关band alignment (2/2431) xiaojie7783 2011-08-29 2011-08-31 21:46:03 by cenwanglai
[Vasp&Me ] 请问大家计算能带时KPOINTS是怎么设置的 (0/992) Tea_Candy 2011-08-31 2011-08-31 17:26:03 by Tea_Candy
[Vasp&Me ] 【求助】差分电荷密度如何画? (3/1052) 020080730 2010-06-01 2011-08-31 07:32:16 by bird007
[Vasp&Me ] 【求助】求证晶格常数的优化    ( 1 2 ) (15/2761) lugang911 2010-06-21 2011-08-31 07:31:51 by bird007
[Vasp&Me ] 【求助】请教利用VASP如何计算某种结构的ZPE (6/2237) tssunrise 2010-07-07 2011-08-31 07:27:57 by bird007
[Vasp&Me ] [已完结]请教介电函数 (4/1130) liliangfang 2011-08-28 2011-08-30 16:09:43 by liliangfang
[Vasp&Me ] [已完结]vesta CHGCAR CHG 单位 (1/1133) zhaohuxian 2011-08-30 2011-08-30 15:25:26 by gavinliu7390
[Vasp&Me ] [已完结]vasp计算时如果考虑自选耦合 (2/630) shenjinni 2011-08-30 2011-08-30 15:01:04 by liliangfang
[Vasp&Me ] [已完结]吸附在不同的位置,能量却都一样,这是怎末回事?    ( 1 2 ) (评阅-7) (13/1225) kmw.8668 2011-08-27 2011-08-30 11:16:01 by kmw.8668
[Vasp&Me ] [已完结]1*2*1超胞 优化了3个星期还没有收敛,怎么回事?大家有碰到类似的吗? (3/994) mengnan0501 2011-08-29 2011-08-29 16:36:01 by buct2010
[Vasp&Me ] [已完结]请教VASP的INCAR设置是否一定要设置PREC=Accurate? (4/3959) 04nylxb 2011-08-28 2011-08-29 14:24:19 by mengnan0501
[Vasp&Me ] 体系总能量与结构 (2/1150) enola 2011-06-10 2011-08-29 11:02:49 by s20080718
[Vasp&Me ] [已完结]如何从windows系统向linux系统传送文件    ( 1 2 ) (14/1805) 韩D小希 2011-08-22 2011-08-29 08:58:14 by 韩D小希
[Vasp&Me ] [已完结]neb设置8个,只算了一个点? (1/217) 哥是传说 2011-08-28 2011-08-29 08:52:07 by 哥是传说
[Vasp&Me ] 【求助】关于K点测试    ( 1 2 ) (13/1388) lgxyz 2010-11-18 2011-08-28 21:40:36 by dingniu2
[Vasp&Me ] [已完结]帮忙将Al2O3的.cell转换成5.2的POSCAR的格式    ( 1 2 ) (10/1559) crante 2011-08-15 2011-08-28 08:32:09 by taijifeng
[Vasp&Me ] [已完结]求助:vasp中设置交换关联函数。 (1/832) fangyongxinxi 2011-08-22 2011-08-27 10:59:25 by buct2010
[Vasp&Me ] 【求助】能带结构的计算的求助    ( 1 2 ) (10/2631) tsy3602 2010-04-15 2011-08-27 10:16:34 by 韩D小希
[Vasp&Me ] [已完结]请教一下NELMDL和ADDGRID的用法 (1/3681) xu31658 2011-08-25 2011-08-26 15:09:17 by zhxd1028
[Vasp&Me ] [已完结]一个灰常灰常简单的问题——Berry phase 计算极化,结果是以什么坐标给出的? (3/1071) donggaomin 2011-07-30 2011-08-26 13:42:18 by dhc198611
[Vasp&Me ] [已完结]vasp计算中出现的问题 (0/306) viebn 2011-08-25 2011-08-25 16:15:36 by viebn
[Vasp&Me ] 【求助】关于VASP 加电场的问题(送金币) (4/1515) gjh123 2010-11-10 2011-08-25 14:49:32 by gjh123
[Vasp&Me ] [已完结]IBRION = 5 (5/1753) 4010808 2011-08-21 2011-08-24 12:33:35 by cenwanglai
[Vasp&Me ] NEB寻找过渡态,OSZICAR文件中输出能量差异 (3/806) tfl03 2011-08-16 2011-08-23 20:37:24 by fengangelo
[Vasp&Me ] [已完结]求助:如何设定vasp中交换势 (5/1222) fangyongxinxi 2011-08-23 2011-08-23 19:30:07 by iamikaruk
[Vasp&Me ] [已完结]有关化学势 (1/540) chuyong 2011-08-22 2011-08-23 11:07:41 by ahu1221
[Vasp&Me ] [已完结]vasp 中超原胞K点设置 (2/1194) fangyongxinxi 2011-06-14 2011-08-23 10:54:31 by zdsk
[Vasp&Me ] [已完结]slab表面小分子反应,如何验算过渡态的虚频? (5/1214) cenwanglai 2011-08-16 2011-08-23 10:46:35 by lgxyz
[Vasp&Me ] [已完结]物理吸附-化学吸附-解离吸附转变及过渡态ZPE修正 (2/2738) cenwanglai 2011-08-21 2011-08-22 14:07:41 by cenwanglai
[Vasp&Me ] [已完结]电子组态的计算(价电子跑哪里去呢?)    ( 1 2 ) (10/1714) Rosk 2011-08-20 2011-08-22 08:27:03 by Rosk
[Vasp&Me ] [已完结]请教,计算O在某种氧化物的表面扩散激活能为2.5-3.0eV,是不是太大了? (3/1833) tfl03 2011-08-20 2011-08-20 17:38:47 by cenwanglai
[Vasp&Me ] [已完结]静态计算 (8/496) zxgxbh2008 2011-08-18 2011-08-20 09:44:31 by buct2010
[Vasp&Me ] [已完结]dimer方法中虚频的方向的物理意义是什么? (1/1099) cenwanglai 2011-08-18 2011-08-19 22:03:26 by dxcharlary
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