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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 2026-02-02 刚刚
[Vasp&Me ] [已完结]结合能与化学势求教 (7/772) lzlgcdc 2013-04-26 2013-04-28 19:40:46 by lzlgcdc
[Vasp&Me ] [已完结]用VASP 计算LO-TO splitting    ( 1 2 ) (12/2633) fliablepig 2012-03-29 2013-04-28 15:38:21 by WDD880227
[Vasp&Me ] 【求助】态密度怎么算?老是出现这种问题 (7/1067) ustbwgs 2010-12-04 2013-04-28 14:47:39 by 171713294
[Vasp&Me ] [已完结]怎么计算vasp优化结果的β电荷? (2/397) lobster500 2013-04-26 2013-04-28 10:56:20 by 171713294
[Vasp&Me ] [已完结]如何处理layer结构的晶体? (0/233) pariah 2013-04-28 2013-04-28 10:13:41 by pariah
[Vasp&Me ] [已完结]VASP如何计算磁电系数? (7/984) donggaomin 2012-10-19 2013-04-27 13:10:09 by 幻灭牙
[Vasp&Me ] [已完结]vesta做电荷密度差分方法分析 (0/884) mitong 2013-04-27 2013-04-27 09:50:55 by mitong
[Vasp&Me ] [已完结]vasp说明书 (1/281) lbing9002 2013-04-22 2013-04-27 08:51:03 by lbing9002
[Vasp&Me ] [已完结]VASP如何加电场计算 (5/2127) fengnan127 2013-04-11 2013-04-26 21:09:05 by fengnan127
[Vasp&Me ] [已完结]VASP并行失败,求助! (0/669) 舞昂琦VoVo 2013-04-26 2013-04-26 18:56:18 by 舞昂琦VoVo
[Vasp&Me ] [已完结]新手求助VASP导出坐标的问题 (0/291) shiyd05 2013-04-26 2013-04-26 15:09:42 by shiyd05
[Vasp&Me ] 【求助】vasp优化时选择了isif=3 怎么限制晶格的一个维度呢?    ( 1 2 ) (16/2723) 贺仪 2010-12-20 2013-04-26 14:00:37 by liaoshime
[Vasp&Me ] [已完结]xcrysden画费米面怎么显示坐标轴 (3/1417) 花无刺 2013-04-25 2013-04-26 12:28:26 by 刘仕晨
[Vasp&Me ] [已完结]vasp 能否考虑海森伯交换作用呢? (1/1295) 真情无价108 2013-04-20 2013-04-26 03:27:30 by identation
[Vasp&Me ] -U (0/195) 贝芷苡 2013-04-25 2013-04-25 20:34:43 by 贝芷苡
[Vasp&Me ] [已完结]静态计算 (4/328) lzlgcdc 2013-04-24 2013-04-25 18:58:52 by lzlgcdc
[Vasp&Me ] [已完结]化学势问题 (5/773) lzlgcdc 2013-04-24 2013-04-25 13:39:21 by lzlgcdc
[Vasp&Me ] [已完结]恳求各位前辈的帮助和指点! (1/522) wangchenju 2013-04-21 2013-04-24 20:28:13 by chuanghua304
[Vasp&Me ] [已完结]【求助】石墨烯掺杂charge transfer的理解 (1/425) conperint 2013-04-24 2013-04-24 20:02:02 by conperint
[Vasp&Me ] [已完结]石墨烯来量子点运行出问题 (1/668) liaoshime 2013-04-23 2013-04-24 18:20:53 by liaoshime
[Vasp&Me ] [已完结]请教大家vasp一问题 (2/509) lhcl 2012-07-11 2013-04-24 15:19:30 by wl7171759
[Vasp&Me ] [已完结]K点测试和encut 求教 (9/1148) lzlgcdc 2013-04-19 2013-04-24 15:13:04 by lzlgcdc
[Vasp&Me ] [已完结]体系吸附单个原子,吸附能的计算,单个原子能量的计算要不要加ISPIN=2? (4/2308) Gina88 2013-03-01 2013-04-24 14:44:10 by dazao
[Vasp&Me ] [已完结]VASP运行出错 大牛进来啊 啊啊啊 (4/745) 兜兜有颗糖 2013-04-19 2013-04-24 08:00:20 by chuanghua304
[Vasp&Me ] 【求助】单胞与原包能量不一样?    ( 1 2 ) (18/3197) superest 2010-10-16 2013-04-24 07:46:35 by 傻孩阿布
[Vasp&Me ] [已完结]关于超级计算机和VASP    ( 1 2 ) (13/2342) c03185 2012-03-27 2013-04-23 19:51:43 by fengangelo
[Vasp&Me ] [已完结]磁矩计算咨询 (0/662) zsh145 2013-04-23 2013-04-23 16:25:00 by zsh145
[Vasp&Me ] [已完结]这种情况下,WAVECAR被读入了吗? (0/274) wkfan8988 2013-04-23 2013-04-23 15:38:34 by wkfan8988
[Vasp&Me ] 关于电介质虚部的能量展宽 (4/672) bjwang 2013-04-20 2013-04-23 10:50:55 by bjwang
[Vasp&Me ] [已完结]初学者求助 VASP与 Abinit wien2K做压电铁电材料那个好 (1/680) lsls1990 2013-04-23 2013-04-23 09:09:33 by 花无刺
[Vasp&Me ] [已完结]请大家看看这个诡异的DOS (1/374) zsjan 2013-04-22 2013-04-23 09:04:41 by lgf9f18
[Vasp&Me ] 求教 六方晶系表面的top位 bridge位 T4位 H3位都是哪里。。。 (0/556) 兜兜有颗糖 2013-04-23 2013-04-23 08:59:33 by 兜兜有颗糖
[Vasp&Me ] 关于光学性质计算的若干问题讨论 (7/1524) chenxin1992 2013-04-15 2013-04-22 19:26:34 by chenxin1992
[Vasp&Me ] [已完结]Vasp编译报错,compilation aborted for xcgrad.f90 (code 1) (1/2254) huangpu2009 2013-04-20 2013-04-20 15:00:36 by KalaShayminS
[Vasp&Me ] [已完结]怎么算都是Na离子的能量比Na的低,到底错在哪了? (2/457) xuefangyu09 2013-04-18 2013-04-19 09:19:37 by xuefangyu09
[Vasp&Me ] [已完结]能量单位的换算 eV和J/m2 (2/5961) cuiky 2013-04-17 2013-04-19 07:50:04 by jwucn
[Vasp&Me ] [已完结][关贴]能带结构图和DOS图该怎么看? (4/2942) xiaoganghehe 2013-04-17 2013-04-19 07:16:49 by jwucn
[Vasp&Me ] [已完结]计算G点声子频率时,如何引入LO-TO split? (5/1642) WDD880227 2013-04-16 2013-04-18 14:33:13 by iamikaruk
[Vasp&Me ] [已完结]帮我解释一下为什么没有产生磁矩? (0/278) zhlhhc 2013-04-18 2013-04-18 13:25:08 by zhlhhc
[Vasp&Me ] [已完结]求助一下,想做一个Co的态密度及分波态密度并计算Co磁矩 (4/1016) chen_0610 2013-04-11 2013-04-18 11:38:15 by 磊俊陈
[Vasp&Me ] [已完结]求助chemical bond method的详细讲解 (0/146) luokang 2013-04-18 2013-04-18 11:37:37 by luokang
[Vasp&Me ] 计算中遇到问题 (1/214) anewtry 2013-04-17 2013-04-18 10:45:26 by anewtry
[Vasp&Me ] 关于六方晶系非极性面的原胞构建 (0/294) 兜兜有颗糖 2013-04-17 2013-04-17 23:34:18 by 兜兜有颗糖
[Vasp&Me ] [已完结]VASP磁性设置 (1/1298) yjwyjwyjw 2013-04-09 2013-04-17 17:32:26 by wpzl4181005
[Vasp&Me ] [已完结]VASP+phonopy INCAR 参数设定问题?    ( 1 2 ) (12/2765) xcid 2012-12-04 2013-04-17 08:01:18 by orangemilk
[Vasp&Me ] [已完结]【求助】bader charge analysis问题 (4/1902) conperint 2013-04-16 2013-04-16 17:03:05 by conperint
[Vasp&Me ] 说说vasp中的参数NPAR的使用 (3/6903) 冷小漠 2013-04-16 2013-04-16 16:53:12 by 冷小漠
[Vasp&Me ] [已完结]晶界断裂后如何计算两个表面的能量? (3/1564) lijuanshu 2013-04-15 2013-04-16 16:10:23 by lijuanshu
[Vasp&Me ] [已完结]LDAUL如何设置 (2/3382) cuiwen0314 2013-04-15 2013-04-16 15:55:42 by cuiwen0314
[Vasp&Me ] [已完结]【求助】关于掺杂石墨烯能带结构的疑问 (8/1857) conperint 2013-04-15 2013-04-16 09:36:05 by conperint
[Vasp&Me ] [已完结]VASP算能带总是出错,新手求帮忙 (3/938) P201102016 2013-04-13 2013-04-15 15:39:51 by hn19870519
[Vasp&Me ] [已完结]【求助】怎样用vasp计算charge transfer    ( 1 2 ) (10/1701) conperint 2013-04-03 2013-04-15 09:58:14 by conperint
[Vasp&Me ] [已完结]vasp报错 (0/234) 真情无价108 2013-04-15 2013-04-15 08:54:59 by 真情无价108
[Vasp&Me ] [已完结]第一篇paper,求期刊推荐    ( 1 2 ) (13/1318) xiaoluoj 2013-04-10 2013-04-14 10:28:42 by octopushxh
[Vasp&Me ] 【求助】MPI2-1.0.8安装出错求助 (5/1113) huihuijing6303 2010-05-19 2013-04-14 09:10:47 by 瓦拉内
[Vasp&Me ] [已完结]孤立NH3分子的DOS计算与文献不符 (6/965) tiger11212 2013-04-10 2013-04-14 00:11:19 by wangkj
[Vasp&Me ] 这个是什么意思 (1/301) anewtry 2013-04-13 2013-04-13 14:50:48 by 极速小木虫
[Vasp&Me ] [已完结]求助:VASP单点能计算没有找到能量最低点 (6/1749) wangjb401 2013-04-12 2013-04-12 22:22:30 by wangjb401
[Vasp&Me ] vasp里算的晶格常数和用castep算的为什么不一样啊? (3/426) kobe6777 2013-04-11 2013-04-12 15:52:20 by kobe6777
[Vasp&Me ] [已完结]vasp 安装出错。。。 (0/422) 真情无价108 2013-04-12 2013-04-12 13:31:36 by 真情无价108
[Vasp&Me ] [已完结]请教一个弹性模量的计算问题    ( 1 2 ) (14/2353) jiehade123 2013-04-03 2013-04-12 10:23:30 by weixp2008
[Vasp&Me ] [已完结]使用B3LYP来计算TiO2之bulk及surface的INCAR和K点选择 (5/1016) s6414073 2013-04-06 2013-04-11 19:12:13 by s6414073
[Vasp&Me ] [已完结]菜鸟求助 VASP INCAR文件怎么写 (0/353) shiyd05 2013-04-11 2013-04-11 16:31:06 by shiyd05
[Vasp&Me ] [已完结]Self Interaction Correction (vasp实现) (3/556) Copent 2013-04-11 2013-04-11 15:53:10 by emilyoyang
[Vasp&Me ] [已完结]neb过渡态搜索 (2/615) charityqi 2013-04-10 2013-04-11 15:11:12 by charityqi
[Vasp&Me ] [已完结]并行计算时间问题 (1/1046) lzlgcdc 2013-04-11 2013-04-11 13:54:50 by emilyoyang
[Vasp&Me ] 小弟刚学VASP,想问一下,如果计算出来的系统总能量为正的话是为什么呢? (3/1733) 兜兜有颗糖 2013-04-09 2013-04-11 13:02:13 by yinwei_li
[Vasp&Me ] [已完结]VASP怎么算NMR (0/1400) wxp1357 2013-04-11 2013-04-11 10:55:19 by wxp1357
[Vasp&Me ] [已完结]并行计算问题 (4/452) lzlgcdc 2013-04-10 2013-04-11 09:51:33 by lzlgcdc
[Vasp&Me ] phonopy 在提取力常数时报的错,求解惑? (2/602) dumissyou 2013-04-10 2013-04-11 09:34:31 by 06022043
[Vasp&Me ] [已完结]vasp+phonopy用dfpt计算声子谱的时候需要建多大的超胞呢 (2/2664) 真情无价108 2013-04-10 2013-04-11 09:02:49 by 真情无价108
[Vasp&Me ] [已完结]计算好像出错了,CONTCAR和WAVECAR空空如也!    ( 1 2 ) (10/3061) porominix 2013-03-29 2013-04-10 21:18:50 by porominix
[Vasp&Me ] [已完结]晶格优化出现问题,急急急 (0/213) wuqiong2008 2013-04-10 2013-04-10 20:39:21 by wuqiong2008
[Vasp&Me ] [已完结]HfO2结构优化后晶体类型改变 (1/390) 颢燹 2013-04-08 2013-04-10 16:54:46 by armaity
[Vasp&Me ] 【求助】如何快速进行晶胞和原胞之间的结构参数的转换 (9/4938) calos818 2010-08-05 2013-04-10 14:05:17 by armaity
[Vasp&Me ] [已完结]怎么用VASP计算声子谱 (4/2285) 放开那位大娘 2013-04-08 2013-04-10 11:06:29 by future_wl
[Vasp&Me ] HSE能带计算中ISYM参数的问题 (7/4505) lascqy 2012-03-05 2013-04-10 10:46:24 by 人生果
[Vasp&Me ] [已完结]求助ab initio MD中SMASS设置及并行问题 (3/1525) 舞昂琦VoVo 2013-04-08 2013-04-10 09:48:57 by gavinliu7390
[Vasp&Me ] [已完结]BiFeO3 R3c结构的顺电相是什么? (2/848) future_wl 2013-04-09 2013-04-10 08:44:29 by future_wl
[Vasp&Me ] [已完结]vasp.5.2编译出错,跪求解决办法!    ( 1 2 ) (10/2176) shawwww 2013-04-03 2013-04-09 16:37:46 by shawwww
[Vasp&Me ] [已完结]公式求助???? (0/304) gyj小果子 2013-04-09 2013-04-09 15:54:43 by gyj小果子
[Vasp&Me ] [已完结]vasp能带计算结果如何用gnuplot画图 (2/1255) yangfeng513 2013-02-03 2013-04-09 12:59:01 by shading10086
[Vasp&Me ] [已完结]求助这样的Charge density difference图是用什么软件画的 (3/1691) sjzxbe 2013-04-09 2013-04-09 12:56:35 by DFPT
[Vasp&Me ] [已完结]怎样分析下面这个图呢?求详解, (1/267) zhlhhc 2013-04-08 2013-04-08 22:51:45 by fengangelo
[Vasp&Me ] 高手请进:帮我解释一个怪异的现象啊!万分感激不尽。。。 (2/356) znphoon_ok 2013-04-08 2013-04-08 21:33:09 by znphoon_ok
[Vasp&Me ] [已完结]紧急求助:结构优化时是否考虑磁性的影响? (7/2893) shihuangzhe 2012-04-11 2013-04-08 17:49:39 by yayanoba
[Vasp&Me ] 一个很有意思的问题(⊙o⊙) (8/966) znphoon_ok 2013-04-04 2013-04-08 15:51:10 by znphoon_ok
[Vasp&Me ] [已完结]本组打算购买MedeA,请问有买过的吗,价格几何?    ( 1 2 ) (16/1321) zhmj 2013-04-08 2013-04-08 14:41:32 by zhmj
[Vasp&Me ] [已完结]HfO2优化问题 (2/534) wanjiayu0116 2013-04-02 2013-04-08 13:30:33 by 颢燹
[Vasp&Me ] [已完结]VASP workshop at the Institut des Matériaux Jean Rouxel , France (2012) (4/3572) wuli8 2013-04-07 2013-04-07 21:35:48 by love5264
[Vasp&Me ] [已完结]γ铁 (0/167) 真情无价108 2013-04-07 2013-04-07 20:04:13 by 真情无价108
[Vasp&Me ] [已完结]请问算能带时,vasp有没有参数可以控制能带的能量范围, 仅计算带隙附近的能带结构。 (0/1040) andy101199 2013-04-07 2013-04-07 14:52:02 by andy101199
[Vasp&Me ] [已完结]超胞倍数设置依据 以及 KPOINTS line-mode的设置 (4/1948) ApolloYang 2013-03-20 2013-04-05 19:33:57 by vasp_wien2k
[Vasp&Me ] [已完结]菜鸟求助:关于石墨烯能带结构计算时,输入文件的设置? (1/1396) 孤要考研 2013-04-02 2013-04-05 08:47:56 by sara_ni
[Vasp&Me ] 结构优化时报错 (6/605) lbing9002 2013-04-04 2013-04-04 20:33:18 by lbing9002
[Vasp&Me ] 【求助】VASP偶极校正 (6/2943) uuv2010 2010-04-07 2013-04-04 14:38:43 by wangyujia
[Vasp&Me ] [已完结]vasp5.3.3如何查看体系中原子所受最大的力 (1/1252) madboy 2013-03-28 2013-04-04 09:18:13 by madboy
[Vasp&Me ] [已完结]我在用vasp中优化结构自动停掉,也没有警告,急求高人指点,多谢    ( 1 2 ) (10/1357) lan784846970 2013-03-10 2013-04-03 18:00:25 by lan784846970
[Vasp&Me ] [已完结]【求助】vasp能带计算出现错误 (3/1383) conperint 2013-03-31 2013-04-03 14:33:28 by conperint
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