24小时热门版块排行榜    

管理团队 (金币库 94062.1 充值 )

主管区长:
月只蓝小红豆
主管版主:
漫天飘雪蛋蛋小童鞋franch

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 材料调剂 爱擦汗的可乐冰 2026-03-01 刚刚
[Vasp&Me ] 【求助】vasp计算原子间成键情况 (3/1413) quby7503 2010-09-01 2010-09-01 18:58:41 by study163
[Vasp&Me ] 【求助】关于MAGMOM的优化 (3/960) txf8378 2010-08-31 2010-09-01 13:06:17 by valenhou001
[Vasp&Me ] 【求助】请问怎么测试vasp (1/322) chuchu6816 2010-08-31 2010-09-01 07:57:52 by babaleo
[Vasp&Me ] 【求助】计算弹性常数数事CHG和WAVECAR是空的,正常吗? (2/668) 小康康 2010-08-30 2010-08-31 19:45:27 by 小康康
[Vasp&Me ] 【求助成功】求面态密度分析相关文献若干 (3/536) cenwanglai 2010-08-30 2010-08-31 18:55:28 by valenhou001
[Vasp&Me ] 【求助】请问pyVib2 软件可以显示vasp所计算的频率吗 (0/340) chuchu6816 2010-08-31 2010-08-31 16:50:31 by chuchu6816
[Vasp&Me ] 【求助】请问:MedeA价格?    ( 1 2 ) (12/1710) xujiajing 2010-08-30 2010-08-31 08:57:37 by hchfox
[Vasp&Me ] 【求助】XDATCAR file 第二行第一列数字的意义 (0/277) ustbmars 2010-08-31 2010-08-31 06:08:28 by ustbmars
[Vasp&Me ] 【求助】计算能带时,费米能级的选择 (0/890) sunray55 2010-08-30 2010-08-30 12:58:55 by sunray55
[Vasp&Me ] 【求助】vasp的哪些设置可以减少内存占用 (6/2895) calos818 2010-08-22 2010-08-28 20:04:01 by dxcharlary
[Vasp&Me ] 【求助】如何在平衡状态下进行晶格参数的优化? (0/506) Prettyswan 2010-08-26 2010-08-28 16:06:25 by Prettyswan
[Vasp&Me ] 【求助】VASP计算光学性质 (2/735) justinjlc 2010-08-26 2010-08-28 12:00:33 by justinjlc
[Vasp&Me ] 【求助】Lda+u 问题 (4/984) sw-2384 2010-08-27 2010-08-28 11:45:33 by sw-2384
[Vasp&Me ] 【求助】新手求助。。。vasp画能带图的问题 (3/1420) armygreen 2010-08-27 2010-08-27 20:52:09 by cenwanglai
[Vasp&Me ] 【求助】INCAR中间的自旋配置如何换行?    ( 1 2 ) (11/1956) 163.com 2010-08-26 2010-08-27 13:20:34 by sunyang1988
[Vasp&Me ] 【求助】sigma 优化 T*S恒为0 (1/380) txf8378 2010-08-26 2010-08-26 21:03:47 by gleerat
[Vasp&Me ] 【求助】vasp 优化磁性结构 (2/974) txf8378 2010-08-25 2010-08-25 23:46:20 by sunyang1988
[Vasp&Me ] 【求助成功】晶格优化中,murn.f的使用方法 (7/1927) gleerat 2010-08-24 2010-08-25 22:43:16 by gleerat
[Vasp&Me ] 【其他】如何评估第一性的计算精度或误差范围 (1/612) vaspstudy 2010-08-23 2010-08-25 11:18:19 by wangla
[Vasp&Me ] 【求助完毕】Xcrysden提供的k-path是reciprocal的还是cartesian格式的? (7/2317) cenwanglai 2010-08-23 2010-08-25 08:30:27 by sunyang1988
[Vasp&Me ] 【求助完毕】IBZKPT,KPOINTS与DOS计算 (4/2161) cenwanglai 2010-08-19 2010-08-24 17:17:38 by 江山8806
[Vasp&Me ] 【求助】POTCAR怎么看价电子 (4/6044) txf8378 2010-08-23 2010-08-24 16:00:01 by 江山8806
[Vasp&Me ] 【求助】VASP并行效率相当差,如何解决? (0/790) jglee646 2010-08-24 2010-08-24 14:46:06 by jglee646
[Vasp&Me ] 【求助】vasp 编译错误 (5/1784) jinnengzhi 2010-08-20 2010-08-23 11:21:02 by jinnengzhi
[Vasp&Me ] 【求助】VASP编译出错 (5/1756) sunyang1988 2010-08-22 2010-08-22 20:16:45 by sunyang1988
[Vasp&Me ] [专家] 【求助】求vasp各赝势文件夹的具体意义 (3/2178) dxcharlary 2010-08-20 2010-08-22 19:14:56 by dxcharlary
[Vasp&Me ] 【求助】有谁用VASP算过bonding electron number (0/203) guanyazhuo5278 2010-08-22 2010-08-22 09:20:57 by guanyazhuo5278
[Vasp&Me ] 【求助】vasp限制磁矩计算 (金币≥1)(1/76) mingyan988 2010-08-20 2010-08-22 00:53:04 by sunyang1988
[Vasp&Me ] 【求助】态密度分析文章 (3/893) kgdu 2010-08-18 2010-08-21 21:14:34 by zengchangan
[Vasp&Me ] 【求助】用vasp怎么来算声子频率? (2/514) fulin 2010-08-21 2010-08-21 21:13:33 by xirainbow
[Vasp&Me ] 【求助】vasp安装问题    ( 1 2 3 ) (27/2731) 贺仪 2010-08-17 2010-08-21 16:13:51 by zzy870720z
[Vasp&Me ] 【求助】NEB算过渡态出现致命错误 (5/1457) sunyang1988 2010-08-18 2010-08-20 01:57:07 by gump_813276
[Vasp&Me ] 【求助】vasp 计算原子受力 (1/1136) quby7503 2010-08-18 2010-08-19 16:13:36 by stractor
[Vasp&Me ] 【求助】vasp中的赝势 (8/1176) kgdu 2010-08-14 2010-08-19 14:04:30 by lfhuang
[Vasp&Me ] 【求助】铁磁(FM)和反铁磁(AFM)的SPDOS有何区别 (6/1609) zhjh888888 2010-05-25 2010-08-18 21:18:04 by identation
[Vasp&Me ] 【求助成功】请教下5*5*3 K点设置的理由 (5/488) calos818 2010-08-18 2010-08-18 20:40:56 by calos818
[Vasp&Me ] 【求助】以前用Materials Explorer做材料学计算,现在想改用VASP是否可以解决问题?    ( 1 2 ) (13/1210) 风间的记忆 2010-08-12 2010-08-18 17:07:14 by zzy870720z
[Vasp&Me ] 【求助】VASP安装64位还是32位ubuntu (1/560) enola 2010-08-18 2010-08-18 09:02:51 by 风间的记忆
[Vasp&Me ] 【求助】vasp计算 (4/874) 江山2010 2010-08-17 2010-08-17 21:18:07 by zzy870720z
[Vasp&Me ] 【求助】计算H2出现的问题 (3/727) vaspnew 2010-08-16 2010-08-17 16:30:32 by quby7503
[Vasp&Me ] 【求助完成】kmesh和encut,先优化哪一个? (3/995) gleerat 2010-08-14 2010-08-17 14:22:31 by cenwanglai
[Vasp&Me ] 【求助】磁性计算 (6/1925) hechaoyu 2010-08-13 2010-08-17 10:41:58 by nkleof
[Vasp&Me ] 【求助】并行错误? (8/1026) huangyc 2010-08-14 2010-08-17 10:28:01 by huangyc
[Vasp&Me ] 【求助】关于ISIF的选择 (8/1704) qiqi2926 2010-07-24 2010-08-16 22:23:37 by zengchangan
[Vasp&Me ] 【求助】co性质 (0/240) 江山2010 2010-08-16 2010-08-16 19:52:50 by 江山2010
[Vasp&Me ] 【求助】layer-KKR方法? (1/919) zhangdelin0000 2010-08-15 2010-08-16 16:41:56 by chgzhong
[Vasp&Me ] 【求助】求VASP的赝势库。。    ( 1 2 ) (11/2550) 空壳 2010-07-17 2010-08-16 10:02:11 by 空壳
[Vasp&Me ] 【问题解决】求VENUS软件下载 (1/913) qiqi2926 2010-08-09 2010-08-15 18:56:37 by 江山2010
[Vasp&Me ] 【求助】VASP结构驰豫过程中出现的问题 (1/903) sunyang1988 2010-08-15 2010-08-15 11:19:26 by condensed
[Vasp&Me ] 【求助成功】sigma优化,EENTRO的变化趋势对不对? (8/2072) gleerat 2010-08-10 2010-08-15 10:53:04 by gleerat
[Vasp&Me ] 【讨论】对并行计算参数设置的讨论 (2/1142) gleerat 2010-08-14 2010-08-15 10:30:47 by gleerat
[Vasp&Me ] 【求助成功】单机编译并行VASP,出现语法错误 (6/2608) gleerat 2010-08-11 2010-08-14 23:46:36 by liuziran
[Vasp&Me ] 【求助】dos计算为导体,和实验不符合,问题出在哪 (8/1224) calos818 2010-08-12 2010-08-14 08:07:24 by valenhou001
[Vasp&Me ] 【求助】求所有晶系 原胞的基矢 (6/1991) calos818 2010-08-13 2010-08-13 21:34:42 by zxzj05
[Vasp&Me ] 【求助成功】使用脚本做sigma优化,输出为空文件 (3/937) gleerat 2010-08-13 2010-08-13 18:21:56 by Prettyswan
[Vasp&Me ] 【求助】MedeA&VASP (3/532) wanghui381 2010-08-11 2010-08-13 14:00:09 by wanghui381
[Vasp&Me ] 【求助】vasp 问题 (3/426) jgq880125 2010-08-10 2010-08-12 19:11:27 by hadone
[Vasp&Me ] 【求助】POSCAR转化为CIF文件出错 (2/618) sunyang1988 2010-08-12 2010-08-12 10:37:50 by fuel
[Vasp&Me ] 【求助】vasp新手 (2/529) 江山2010 2010-08-11 2010-08-11 20:44:29 by 江山2010
[Vasp&Me ] 【求助】计算晶体缺陷的态密度的一般步骤 (1/895) chen_yang 2010-08-04 2010-08-11 17:29:36 by xiaomagh
[Vasp&Me ] 【求助成功】单机并行OR单机串行 (2/501) gleerat 2010-08-09 2010-08-11 17:28:03 by xiaomagh
[Vasp&Me ] 【求助】优化晶格常数问题 (4/903) 小康康 2010-08-10 2010-08-11 11:58:30 by xiaomagh
[Vasp&Me ] 【求助】如何使用openmpi在多节点并行计算? (9/3846) Prettyswan 2010-07-07 2010-08-11 09:43:29 by 风间的记忆
[Vasp&Me ] 【求助】塔式服务器硬盘配置 (9/1670) 眉峰 2010-08-08 2010-08-11 09:12:30 by 风间的记忆
[Vasp&Me ] 【原创】vasp manual 网页版的 chm :-) (7/1781) hedaors 2010-06-24 2010-08-11 07:57:15 by lvjian8596
[Vasp&Me ] 【求助】VASP计算结合能 (1/1944) xiaojie7783 2010-08-09 2010-08-09 20:14:15 by sunyang1988
[Vasp&Me ] 【求助】请教一个关于GGA 的一些说法 (2/261) njuxyh 2010-08-05 2010-08-09 14:36:31 by njuxyh
[Vasp&Me ] 【求助】算能带分第二步:1)为啥又把能量算一遍?2)第二次算的能量为啥比第一次高些 (5/1062) tfl03 2010-07-05 2010-08-08 12:12:10 by dxcharlary
[Vasp&Me ] 【求助】levoo 运行出错 (2/420) cqgzc 2010-08-07 2010-08-08 09:01:50 by cqgzc
[Vasp&Me ] 【求助成功】CNEB后,还需要做结构优化? (5/1193) cenwanglai 2010-08-05 2010-08-07 18:30:52 by sunyang1988
[Vasp&Me ] 【求助】如何把CONTCAR中的坐标用MS转换成图    ( 1 2 ) (19/3843) ddang100 2009-09-27 2010-08-07 17:39:08 by wup123
[Vasp&Me ] 【求助】求将vasp的输出文件转化成xyz坐标的脚本    ( 1 2 ) (11/3456) lgxyz 2010-08-06 2010-08-07 14:43:12 by calos818
[Vasp&Me ] 【其他】VASP购买 (5/1522) enola 2010-07-16 2010-08-06 22:35:18 by enola
[Vasp&Me ] 【求助】vasp 编译时候没有错误提示,但是运行时出现“段错误”    ( 1 2 ) (14/2596) wuli8 2010-06-21 2010-08-06 13:19:25 by quantumfang
[Vasp&Me ] 【求助】vasp 段错误 (6/1131) jgq880125 2010-08-05 2010-08-06 10:01:15 by jgq880125
[Vasp&Me ] 【求助】vasp.5.2 manual 中关于NKRED item (0/670) njuxyh 2010-08-05 2010-08-05 16:54:40 by njuxyh
[Vasp&Me ] 【其他】vasp5.2购买 (7/1363) hlshi 2010-07-12 2010-08-04 21:19:24 by jmlv
[Vasp&Me ] 【求助】磁矩如何安排 (5/725) hechaoyu 2010-07-24 2010-08-04 20:27:37 by hechaoyu
[Vasp&Me ] 【求助】请问如何考虑CO2这种物理吸附情况? (5/993) yuyaolun 2009-09-16 2010-08-04 10:37:47 by 谁玩穿越火线
[Vasp&Me ] 【求助】求助 vasp.4.6安装问题 (4/1482) jgq880125 2010-08-02 2010-08-03 17:42:51 by hakuna
[Vasp&Me ] [关贴]【求助】计算体系是铁磁性稳定还是反铁磁性稳定,VASP怎么设置参数 (3/1167) lxmn 2010-07-12 2010-08-02 22:52:35 by yuling985
[Vasp&Me ] 【求助】求助vasp 分子动力学 (2/1106) zhangying09 2010-07-26 2010-08-02 22:46:18 by hedaors
[Vasp&Me ] 【求助】求助vasp4.6编译错误分析 (9/1469) 信任开花 2010-07-27 2010-08-01 09:11:24 by kgdu
[Vasp&Me ] 【求助】J值的算法 (金币≥10)(8/83) mingyan988 2010-07-30 2010-07-31 22:37:38 by valenhou001
[Vasp&Me ] 【求助】跑vasp时, mpich2运行有时有问题 (6/2022) wnryc 2010-06-15 2010-07-31 20:15:33 by ApolloYang
[Vasp&Me ] 【求助】纳米颗粒被另一种材料包裹,如何建模?谢谢 (1/400) sunray55 2010-07-30 2010-07-31 08:56:57 by valenhou001
[Vasp&Me ] [专家] 【求助】isif=2是否允许改变元胞体积 (7/1812) dxcharlary 2010-07-29 2010-07-30 18:38:01 by lono75
[Vasp&Me ] 【求助】利用侯博的方法优化结构出现的问题(求验证)    ( 1 2 ) (11/2831) qiqi2926 2010-07-26 2010-07-29 15:59:52 by valenhou001
[Vasp&Me ] 【求助】赝势选取问题 (金币≥100)(5/90) 小康康 2010-07-29 2010-07-29 15:19:47 by aylayl08
[Vasp&Me ] 【求助】讨论下如何分析材料的能带变化 (评阅+1) (1/479) vboyz 2010-07-27 2010-07-29 14:22:43 by zd777
[Vasp&Me ] 【求助】做NEB时如何添加非吸附粒子? (3/1046) fuel 2010-07-29 2010-07-29 14:17:58 by zd777
[Vasp&Me ] 【求助】grep "EENTRO" OUTCAR | tail -1什么意思?? (2/3167) 215215 2010-07-27 2010-07-29 11:28:58 by 215215
[Vasp&Me ] 【求助成功】计算纳米管K点的问题 (3/423) bigcontinent 2010-07-21 2010-07-29 08:24:02 by xiaowenzhi16
[Vasp&Me ] 【求助】VESTA如何看二维电荷图? (7/3062) calos818 2009-11-15 2010-07-27 15:57:43 by cbFeng200881
[Vasp&Me ] 【求助】vasp5.2 在centos linux上的编译    ( 1 2 3 ) (22/3413) lightgjx 2010-03-12 2010-07-27 15:38:10 by vboyz
[Vasp&Me ] 【求助】vasp FFT3DFURTH 问题 (1/274) bird007 2010-07-26 2010-07-26 18:28:38 by valenhou001
[Vasp&Me ] 【求助】体材料的功函数如何计算? (3/1221) 020080730 2010-07-25 2010-07-25 21:58:18 by carlaty
[Vasp&Me ] 【求助】做能带时取零点能的问题:咋没人回答我的问题呢?RPWT? (2/322) bigcontinent 2010-07-21 2010-07-22 21:58:29 by bigcontinent
[Vasp&Me ] 【求助】出现下面问题怎么办? (1/238) 含草 2010-07-21 2010-07-22 06:50:01 by calos818
[Vasp&Me ] 【求助】internal error insubroutine LATTYP (4/2209) jttjtl 2010-07-19 2010-07-21 19:00:33 by jttjtl
相关版块跳转
查看