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[热点] 多组分精馏求助 高树桩 2026-01-31 刚刚
[Vasp&Me ] [已完结]模型疑惑 (0/198) guobinwang 2015-01-09 2015-01-09 15:28:53 by guobinwang
[Vasp&Me ] [已完结]第一原理计算电池脱嵌时要不要考虑溶剂的作用和SEI (2/452) su2376053 2014-08-05 2015-01-09 12:04:11 by vinbert
[Vasp&Me ] [已完结]计算氢原子能量 (4/2660) 独孤笑愚 2014-12-02 2015-01-09 11:30:15 by hakuna
[Vasp&Me ] [已完结]计算弹性常数的问题 (3/902) zhengbohan 2015-01-06 2015-01-09 08:48:17 by 对马拉二胡
[Vasp&Me ] [已完结]VASP石墨烯能带计算,能带出现带隙    ( 1 2 ) (18/5713) onebeing 2013-08-04 2015-01-09 04:46:51 by tonglijia
[Vasp&Me ] VASP计算问题 (5/879) bianyuan2680 2015-01-06 2015-01-08 21:33:02 by bianyuan2680
[Vasp&Me ] [已完结]第一原理计算中金属体系的费米能级是如何确定的 (2/4039) 小韧1 2015-01-06 2015-01-08 16:01:28 by 小韧1
[Vasp&Me ] 【求助】如何用vasp5.2中的DFPT方法算Born effective charge?    ( 1 2 ) (11/4100) spur 2010-04-14 2015-01-08 09:48:14 by xihumei
[Vasp&Me ] [已完结]使用VASP计算时提交任务后出现output,但是没有计算结果    ( 1 2 ) (13/2343) chriswei1 2014-12-31 2015-01-08 09:40:27 by chriswei1
[Vasp&Me ] [已完结]弹性模量与硬度有什么关系? (6/3941) gleerat 2011-04-29 2015-01-08 07:36:45 by zjzy2012
[Vasp&Me ] 贵金属催化剂的INCAR设置 (0/741) maoshanjun 2015-01-07 2015-01-07 20:00:15 by maoshanjun
[Vasp&Me ] [已完结]vasp计算中 total drift 太大的问题 (7/1709) xiewenze 2014-12-30 2015-01-07 18:39:50 by xiewenze
[Vasp&Me ] [已完结]求助这类图怎么画 (0/239) oytxtu 2015-01-06 2015-01-06 23:56:30 by oytxtu
[Vasp&Me ] [已完结]加U参数 (1/641) swuhaizhilan 2015-01-06 2015-01-06 17:14:45 by KalaShayminS
[Vasp&Me ] [已完结]VASP5.2光学性质计算    ( 1 2 ) (10/2177) x夏日的约定 2012-09-11 2015-01-06 15:50:29 by liutaifeng
[Vasp&Me ] 【分享】DOSCAR数据整理小程序 (25/4219) qli0218 2009-03-23 2015-01-06 10:10:41 by zplou
[Vasp&Me ] [已完结]VASP中如何用相干势近似来计算固溶体体系? (0/1597) future_wl 2015-01-06 2015-01-06 09:00:07 by future_wl
[Vasp&Me ] 【求助】什么是Segmentation fault?    ( 1 2 ) (11/2527) keitapsp 2010-05-01 2015-01-05 10:49:22 by 105668240
[Vasp&Me ] [已完结]请教:同一位置上有两个原子,采用虚拟超晶,做掺杂时,怎么替换原子? (5/1060) houyanhui8 2015-01-03 2015-01-05 09:14:09 by ljyang320
[Vasp&Me ] [已完结]vasp4.6收敛的结构在vasp5.2 计算不收敛 (7/1690) wujiandongde 2012-03-01 2015-01-05 07:46:19 by guobinwang
[Vasp&Me ] partial charge density计算 与能带计算关系 (0/719) victemww 2015-01-04 2015-01-04 10:01:44 by victemww
[Vasp&Me ] [已完结]vasp计算结果问题 (8/1381) fxh0402 2014-12-29 2015-01-03 19:26:17 by xiewenze
[Vasp&Me ] [已完结]求个vasp5.2版本的vtst tool工具,或者是求教怎么在vasp官网下载vasp (3/1538) yysskk 2014-12-27 2015-01-03 09:28:14 by 未岸亡灵
[Vasp&Me ] [已完结]VASP计算CONTCAR和POSCAR结构一样    ( 1 2 ) (19/3833) mengfc 2012-04-10 2015-01-03 06:42:20 by fxh0402
[Vasp&Me ] [已完结]请问,VASP计算里面能不能同时给两种元素都加上Hubbard U? (2/777) 平敦盛Chem 2014-12-28 2015-01-02 17:02:31 by 平敦盛Chem
[Vasp&Me ] [已完结]VASP 中 vdw计算 (2/1290) wd12309812 2014-12-31 2015-01-01 10:51:04 by wd12309812
[Vasp&Me ] [已完结]请问VASP中关于范德华力该怎么计算? (0/1426) wd12309812 2014-12-31 2014-12-31 14:11:14 by wd12309812
[Vasp&Me ] [已完结]vasp KPOINTS值如何选择 (5/3778) jiangge122 2014-05-03 2014-12-31 12:23:29 by wangyan6930
[Vasp&Me ] [已完结]求助:原子替换后,稳定性本来应该增加,结果却比替换前能量更高,找不到原因    ( 1 2 ) (12/2328) houyanhui8 2014-12-29 2014-12-31 11:26:51 by 苦行客
[Vasp&Me ] 介电函数的实部和虚部分别表示什么物理意义呢? (8/9266) 天罡寒星 2014-12-29 2014-12-31 11:19:52 by 阿Q~~
[Vasp&Me ] [已完结]求vasp最新版 (1/1693) yysskk 2014-12-30 2014-12-30 17:41:49 by wuli8
[Vasp&Me ] [已完结]石墨烯纳米带如何在a基矢结构优化 (3/813) 勇士1992 2014-12-25 2014-12-30 15:22:28 by 勇士1992
[Vasp&Me ] [已完结]vaspkit处理出错 (3/1212) 2008130252 2014-12-29 2014-12-29 21:39:15 by 2008130252
[Vasp&Me ] [已完结]计算空穴电子的有效质量 (6/3647) chiweijie 2014-04-18 2014-12-29 16:46:06 by zyqh
[Vasp&Me ] 【求助】vasp5.2光学性质问题    ( 1 2 ) (18/3686) laplacetalor 2010-11-02 2014-12-29 10:52:44 by chaiyong2013
[Vasp&Me ] [已完结]在vasp里怎么详细看任务是否算完了 (2/6875) fxh0402 2014-12-20 2014-12-29 08:29:44 by ted1277
[Vasp&Me ] [已完结]能带图中费米能级穿过导带,请教什么原因?    ( 1 2 3 4 ) (30/6441) xiewenze 2014-12-25 2014-12-28 08:37:51 by KalaShayminS
[Vasp&Me ] 【求助】利用VASP算出E-V曲线后,怎么拟合得到体弹性模量? (6/3122) huangdan9604 2010-05-20 2014-12-28 07:44:10 by 安科院物理系
[Vasp&Me ] [已完结]VASP projected wavefunction問題    ( 1 2 ) (11/1654) skydark 2014-12-20 2014-12-25 17:08:44 by KalaShayminS
[Vasp&Me ] [已完结][关贴]vasp结构优化轨迹可视化 (0/2320) Janus2024 2014-12-25 2014-12-25 16:38:18 by 无所谓109
[Vasp&Me ] [已完结]vasp对布里渊区积分问题    ( 1 2 ) (10/2181) future_wl 2014-04-11 2014-12-25 13:37:29 by 刺尖花杀唄
[Vasp&Me ] [已完结]求平衡态VASP MD的一个脚本文件 (0/525) liuchenhan 2014-12-25 2014-12-25 13:06:56 by liuchenhan
[Vasp&Me ] [已完结]vasp+新版BoltzTraP计算出错 (6/2379) lhyhover 2013-03-08 2014-12-25 13:00:51 by 刺尖花杀唄
[Vasp&Me ] 吸收光谱计算公式中w的含义 (6/2544) 天罡寒星 2014-12-23 2014-12-25 10:05:59 by 天罡寒星
[Vasp&Me ] [已完结]phonopy_QHA计算输出的entropy-volume.dat中数据代表什么? (0/1008) sjzxbe 2014-12-23 2014-12-23 21:18:04 by sjzxbe
[Vasp&Me ] [已完结]vdw_kernel的用法 (6/1365) 菲顶顶 2014-11-09 2014-12-23 19:19:03 by hakuna
[Vasp&Me ] [已完结]关于VESTA建模型的问题 (1/1030) xingkongwuyu 2014-12-16 2014-12-23 15:08:39 by 蓝莓微积分
[Vasp&Me ] vasp计算的能带禁带宽度太小,怎么办??? (6/2169) a3522121 2014-05-15 2014-12-22 16:15:49 by Kaysemi
[Vasp&Me ] [已完结]有熟悉phonopy之类软件的大侠吗?有问题请教? (1/370) lianjiak 2014-12-22 2014-12-22 15:37:54 by lianjiak
[Vasp&Me ] [已完结]有偿寻求薄膜计算帮助! (0/332) 模拟-物化 2014-12-22 2014-12-22 14:27:06 by 模拟-物化
[Vasp&Me ] [已完结]计算碳纳米管吸附能 (0/688) 15135542947 2014-12-22 2014-12-22 11:20:26 by 15135542947
[Vasp&Me ] 【求助】band structrue 出错 (13/4681) ustbwgs 2011-04-04 2014-12-22 11:10:23 by fdd096030079
[Vasp&Me ] [已完结]vasp计算机配置的要求 (8/3556) 博致远 2014-12-18 2014-12-21 10:56:12 by 李天帮
[Vasp&Me ] [已完结]vasp加电场体系收敛不了 (1/2211) 天空般明朗 2014-12-04 2014-12-19 16:34:44 by 四海存鹏
[Vasp&Me ] [已完结]chgdiff.pl的CHGCAR文件顺序问题 (2/1982) zjucy 2014-10-13 2014-12-19 13:50:45 by magicmonk
[Vasp&Me ] [已完结]vasp进行加U值计算表面在同一个机群上两次计算同一个任务,得到的结果也不同。 (3/647) songxiaohe 2014-12-18 2014-12-19 11:07:25 by KalaShayminS
[Vasp&Me ] [已完结]新手VASP问题求助~ (5/720) yuyangzeng 2014-12-09 2014-12-18 21:02:29 by yuyangzeng
[Vasp&Me ] [已完结]vasp计算,怎样拟合状态方程 (5/2082) anatta1 2014-12-14 2014-12-18 16:26:55 by 对马拉二胡
[Vasp&Me ] [已完结]采用vasp+phonopy计算声子频率精度如何控制?    ( 1 2 ) (16/2030) 小虫虫LG 2014-12-12 2014-12-18 11:10:43 by 小虫虫LG
[Vasp&Me ] [已完结]基础知识问题 (1/336) fxh0402 2014-12-17 2014-12-18 09:07:45 by 对马拉二胡
[Vasp&Me ] [已完结]静态自洽后CHGCAR文件分析! (2/892) Ivy286 2014-12-16 2014-12-18 08:54:31 by 对马拉二胡
[Vasp&Me ] 【求助】收敛问题 (金币≥5)(3/113) mljphy 2010-08-17 2014-12-17 17:42:00 by 小地雷2014
[Vasp&Me ] [已完结]VASP杂化泛函计算太密度 (3/2363) junfeiyan 2014-12-10 2014-12-16 21:11:55 by binshao1991
[Vasp&Me ] [已完结]linux集群使用问题 (1/575) liuchenhan 2014-12-13 2014-12-16 18:01:14 by 未岸亡灵
[Vasp&Me ] [已完结]在做vdW吸附计算时,我不知道Bi原子在INCAR中VDW_R0和VDW_C6的两个参数应该是多少? (0/657) hjl89 2014-12-15 2014-12-15 20:53:06 by hjl89
[Vasp&Me ] [已完结]四方晶系弹性常数拟合曲线 (8/1488) fjfuzhou 2012-11-29 2014-12-15 12:51:52 by tonglijia
[Vasp&Me ] [已完结]vasp计算磁性的时候 OSICAR中有总磁矩的大小,但是OUTCAR中每个原子的磁矩均显示为0 (8/4618) duba1023 2014-01-02 2014-12-15 07:34:55 by zh11111
[Vasp&Me ] vaspINCAR中的默认设置有哪些 (1/2556) 刘小伟110 2014-03-08 2014-12-14 13:55:16 by yancui123
[Vasp&Me ] [已完结]请问做出体系每个(种)原子的能带贡献来怎么弄? (6/2200) lightgjx 2014-09-10 2014-12-14 06:23:22 by xiaoboy185
[Vasp&Me ] [已完结]安装问题 (0/301) fxh0402 2014-12-13 2014-12-13 22:39:02 by fxh0402
[Vasp&Me ] DFT+U中对U和库伦关联的的理解 (11/4371) jugengfans 2012-04-06 2014-12-13 20:51:55 by 黄河honour
[Vasp&Me ] [已完结]HSE计算太密度求助 (0/663) junfeiyan 2014-12-13 2014-12-13 10:25:33 by junfeiyan
[Vasp&Me ] [已完结]请教各位:目前vasp都有哪些杂化势啊? (2/326) liuhuimeiwoo 2014-11-19 2014-12-12 20:32:26 by wuli8
[Vasp&Me ] [已完结]求vasp5.3的手册 (2/735) lightgjx 2014-12-04 2014-12-12 20:25:37 by wuli8
[Vasp&Me ] [已完结]新手求教,关于Vasp中费米能级定义的问题~ (3/1504) 蓝莓微积分 2014-12-10 2014-12-11 21:56:48 by KalaShayminS
[Vasp&Me ] [已完结]CoO的INCAR设置 (0/708) maoshanjun 2014-12-11 2014-12-11 18:29:00 by maoshanjun
[Vasp&Me ] [已完结]界面差分电荷密度分析 (3/1685) flyfar111 2014-10-06 2014-12-11 18:15:30 by hj1261363982
[Vasp&Me ] [已完结]vasp5.3安装问题求助 (8/1657) yjh9160 2014-01-17 2014-12-11 17:45:59 by 木木果壳
[Vasp&Me ] 【求助】结构优化中,如何选择POTIM? (7/5125) Prettyswan 2010-12-16 2014-12-11 15:37:27 by 2008130252
[Vasp&Me ] [已完结]centos7 安装vasp出错 (1/1538) yu2008 2014-12-03 2014-12-11 14:43:04 by ultraq
[Vasp&Me ] 【求助】vasp计算Y2TIO7烧绿石 我设置的输入文件 vasp却不能读入!请高手帮助! (5/1536) VASP2010 2010-09-25 2014-12-11 07:33:10 by sissiya
[Vasp&Me ] [已完结]二维表面布里渊区高对称点的求解 (5/3228) Misschen 2014-12-09 2014-12-10 22:04:45 by whywhy01
[Vasp&Me ] 【求助】如何用hse计算后的结果进一步计算光学性质 (2/1157) wuli8 2010-11-17 2014-12-10 21:04:18 by binshao1991
[Vasp&Me ] [已完结]六角密排非基面广义层错能计算    ( 1 2 ) (12/2443) laohu314422 2012-06-13 2014-12-10 10:02:14 by wfbgc
[Vasp&Me ] [已完结]VASP+phonopy计算声子态密度问题 (0/1908) lonell 2014-12-10 2014-12-10 10:01:25 by lonell
[Vasp&Me ] [已完结]求助VASP自带NEB的INCAR设置。按照我的INCAR计算只有在01文件夹里有输出文件 (6/1821) jayjeremyyu 2014-12-06 2014-12-10 00:24:06 by 春华秋实538
[Vasp&Me ] [已完结]求力常数矩阵 (2/1829) Mugwort 2014-12-08 2014-12-10 00:18:05 by zjj760120
[Vasp&Me ] [已完结]如何做二次差分电荷密度图CHGCAR difference (2/1807) wangjiang12 2014-06-05 2014-12-09 16:57:01 by 517250906
[Vasp&Me ] [已完结]安装问题 (0/217) fxh0402 2014-12-09 2014-12-09 09:46:20 by fxh0402
[Vasp&Me ] POTIM参数,由大到小?    ( 1 2 ) (14/1994) shixha 2014-12-05 2014-12-08 23:31:16 by shixha
[Vasp&Me ] 【求助】用VASP计算六方纤锌矿结构的GaN时,GaN的POSCAR怎么写的? (8/2129) 215215 2010-11-24 2014-12-08 18:53:05 by houzhentao
[Vasp&Me ] [已完结][关贴]VASP分子动力学求助 (0/691) shangshui123 2014-12-08 2014-12-08 16:58:28 by shangshui123
[Vasp&Me ] [已完结]关于VASP的入门级问题,VASP需要的四个输入文件怎样产生? (8/3749) wangjl712 2013-09-22 2014-12-08 14:07:57 by houzhentao
[Vasp&Me ] [已完结]文献求助 (2/269) 2008130252 2014-12-06 2014-12-07 14:02:46 by 2008130252
[Vasp&Me ] [已完结][关贴]GaN差分电荷分析求助 (0/1256) guaiguaizhxd 2014-12-07 2014-12-07 13:22:03 by guaiguaizhxd
[Vasp&Me ] VASP计算任务中断,显示 reason = mpd disappeared,是什么原因呢?    ( 1 2 3 ) (20/2022) 天罡寒星 2014-12-06 2014-12-06 16:50:21 by 天罡寒星
[Vasp&Me ] [已完结]如何计算configuration entropy。 (0/605) 111hzs 2014-12-06 2014-12-06 15:37:04 by 111hzs
[Vasp&Me ] [已完结][关贴]MoS2 能带计算问题 (8/2320) 2008130252 2014-12-03 2014-12-06 09:36:06 by 2008130252
[Vasp&Me ] 大家来谈谈用VASP做什么计算 (7/969) 落魄骑士 2014-12-01 2014-12-05 13:31:08 by kjsun
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