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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 ] 【求助】vasp的chgcar用vmd打开的isosurface颜色调整问题 (0/1230) 小木虫于 2011-03-14 2011-03-14 17:17:13 by 小木虫于
[Vasp&Me ] 【求助】p4vasp软件 (3/863) 学员CkImlJ 2011-01-20 2011-03-14 15:18:51 by luding861011
[Vasp&Me ] 【求助】如何确定U值大小 (6/1235) hexx621 2011-02-14 2011-03-14 10:47:54 by hexx621
[Vasp&Me ] 【讨论】什么是赝势?为什么用赝势?    ( 1 2 ) (18/6369) calos818 2009-10-27 2011-03-13 21:09:22 by zzubkff
[Vasp&Me ] [关贴]【转】NGX,NGY,NGZ? (3/5639) Gina88 2011-03-10 2011-03-11 09:50:13 by 贺仪
[Vasp&Me ] 【求助成功】lev00安装问题 (2/650) Me卓 2011-03-10 2011-03-11 08:53:27 by Me卓
[Vasp&Me ] 【求助】用hse方法计算体系能带的实例 (1/1488) wuli8 2011-03-11 2011-03-11 02:34:47 by ice_rain
[Vasp&Me ] [关贴]【求助】关于投稿的问题 (1/349) chiqiong 2011-03-09 2011-03-09 19:57:32 by qscao
[Vasp&Me ] 【求助】非立方施加压力的结构优化! (7/1534) shxincui518 2009-01-14 2011-03-09 10:17:39 by calos818
[Vasp&Me ] 【求助】关于发表文章 (1/239) chiqiong 2011-03-08 2011-03-08 23:38:30 by sunyang1988
[Vasp&Me ] 【求助】关于表面的计算 (4/597) gtssongchi 2011-03-08 2011-03-08 21:00:05 by gtssongchi
[Vasp&Me ] 【求助】对晶体结构驰豫优化,dE出现波动,正常吗? (0/203) xiaowu787 2011-03-08 2011-03-08 08:42:30 by xiaowu787
[Vasp&Me ] 【求助】vasp 算态密度的一个疑惑 (3/966) txf8378 2011-03-04 2011-03-05 21:57:56 by sunyang1988
[Vasp&Me ] 【求助】求USPP-LDA赝势文件potcar(VASP) (0/540) liushaking 2011-03-05 2011-03-05 10:38:05 by liushaking
[Vasp&Me ] 【求助】如何计算层错能? (1/2987) dyc_2008 2010-12-27 2011-03-05 10:11:05 by gaods101@163
[Vasp&Me ] 【求助】使用Phonopy结合Vasp计算声子,对于六角格子(R-3m)如何建立超晶胞 (0/471) sagiterszk 2011-03-04 2011-03-04 16:41:52 by sagiterszk
[Vasp&Me ] 【求助】结构优化之后的静态自洽计算    ( 1 2 ) (12/3607) 缺心眼桌 2011-02-28 2011-03-04 11:08:38 by bingmou
[Vasp&Me ] 【求助】能带结构和态密度不对应为什么? (3/1019) ddang100 2011-03-03 2011-03-03 22:21:16 by bingmou
[Vasp&Me ] 【求助】K-S 方程的迭代解法 (10/1686) ss_kampf 2011-03-02 2011-03-03 09:00:19 by bingmou
[Vasp&Me ] 【求助】用第一原理可以计算晶粒尺寸与强度的定量关系吗? (1/163) zhanganping 2011-03-01 2011-03-02 17:19:50 by wutianhuan
[Vasp&Me ] 【求助】怎么用晶胞和原子坐标等信息写POSCAR    ( 1 2 3 4 ) (38/2675) zugulitang 2011-02-25 2011-03-02 14:26:59 by feng.ustc
[Vasp&Me ] 【求助】为什么运行vasp机器卡的厉害 (10/1662) gaods101@163 2011-02-28 2011-03-02 08:42:58 by gaods101@163
[Vasp&Me ] 【求助】问大伙一个名词 (1/210) wanglei200 2011-02-28 2011-02-28 16:33:53 by putian
[Vasp&Me ] 【求助】谁能帮我解释一下NBANDS如何设定的 (2/1055) gloomy2004 2011-02-26 2011-02-28 09:07:33 by enola
[Vasp&Me ] 【求助】为什么两次优化第一次收敛,同样的条件第二次不收敛? (6/1239) swx0789 2011-02-26 2011-02-27 16:10:58 by 贺仪
[Vasp&Me ] 【求助】服务器上VASP计算的问题 (2/386) 拓海1627 2011-02-26 2011-02-26 18:19:50 by 拓海1627
[Vasp&Me ] 【求助】在哪里看Hellmann-Feynman stress? (10/1953) hiyangyue 2011-02-16 2011-02-25 23:36:38 by valenhou001
[Vasp&Me ] 【求助】第一性原理软件能做NPT系宗分子动力学模拟的原件有哪些? (8/1877) jsheng5059 2011-02-23 2011-02-25 14:48:59 by gavinliu7390
[Vasp&Me ] 计算模拟区期刊RCS征VASP相关稿件,欢迎投稿-重奖。。 (4/1217) fegg7502 2010-12-07 2011-02-25 12:22:41 by cenwanglai
[Vasp&Me ] 【求助】那位大侠可以帮我跑两个计算嘛? (1/239) enola 2011-02-24 2011-02-24 15:29:44 by valenhou001
[Vasp&Me ] 【求助】HCP密排六方的POSCAR怎么写啊? (1/981) dyc_2008 2011-02-24 2011-02-24 15:18:00 by valenhou001
[Vasp&Me ] 【求助】单机多核并行VASP,如何编译? (5/2193) yankai131 2011-02-21 2011-02-24 00:23:06 by bluewhale
[Vasp&Me ] 【求助】这个名词怎么翻译好呢 (1/269) wanglei200 2011-02-23 2011-02-23 21:08:14 by zzy870720z
[Vasp&Me ] 【求助】能带结构中Gamma点的特征是怎么求出来的? (3/1891) veryman 2011-02-21 2011-02-23 16:00:14 by valenhou001
[Vasp&Me ] 【求助】谁用过ASE调用vasp神马的? (1/996) ikea1984 2011-02-23 2011-02-23 12:39:58 by 锐利的碎片
[Vasp&Me ] 【求助】vasp在进行磁性的计算遇到一个问题 (6/1129) nww346 2011-02-21 2011-02-23 08:34:34 by 含草
[Vasp&Me ] 【求助】VASP做从头算分子动力学模拟机器配置问题 (2/1091) gzhao1980 2011-02-19 2011-02-22 15:12:03 by freer007
[Vasp&Me ] 【求助】GGA近似为何会高估晶格常数?(要具体回答) (2/1002) zzy1123 2011-02-22 2011-02-22 14:17:52 by fanchen021
[Vasp&Me ] 【求助】vasp结构优化时k-mesh选择 (9/1831) 小木虫于 2011-02-15 2011-02-21 11:28:43 by yujiemanbu
[Vasp&Me ] 【求助】利用VASP计算钙钛矿型氧化物 (3/592) 1028jl 2011-02-18 2011-02-21 11:05:37 by bingmou
[Vasp&Me ] 【求助】纯Li的各种结构数据(cif文件的) (金币≥5)(2/45) wanqixin1982 2011-02-18 2011-02-19 08:59:04 by zzy870720z
[Vasp&Me ] 【求助】如何计算应变对应的应力值 (5/2477) hiyangyue 2011-02-15 2011-02-17 16:41:07 by sars518
[Vasp&Me ] 【求助】如何设置 pseudo hydrogen (2/305) skyscorpioa 2011-02-16 2011-02-17 00:08:46 by skyscorpioa
[Vasp&Me ] 【求助】vasp编译问题,请自己动手安装成功的人回复! (9/2874) taijifeng 2011-01-16 2011-02-16 20:19:15 by ellsaking
[Vasp&Me ] 【求助】关于GW计算 (0/292) vboyz 2011-02-15 2011-02-15 21:24:55 by vboyz
[Vasp&Me ] 【求助】优化如何用ISART=3 full restart? (0/616) xiaotianzhou 2011-02-15 2011-02-15 15:15:59 by xiaotianzhou
[Vasp&Me ] 【求助】NEB计算outcar中无各个镜像的能量输出 (6/1271) manuphy 2011-02-08 2011-02-13 10:58:57 by 魔男小崔
[Vasp&Me ] 【求助】“练习计算AGS能带及态密度及光学性质全过程”中的下载链接好像失效了 (1/278) happytoko 2011-02-10 2011-02-11 15:37:27 by happytoko
[Vasp&Me ] 【求助】怎么看分波态密度呢 (5/2303) ustbwgs 2010-12-06 2011-02-09 00:19:10 by zxg_far
[Vasp&Me ] 【求助】VASP计算中U怎么加 (3/931) hexx621 2011-02-06 2011-02-08 22:59:51 by happytoko
[Vasp&Me ] 【求助】VASP计算出错--新年第一帖 (1/668) enola 2011-02-06 2011-02-08 13:41:59 by enola
[Vasp&Me ] 【求助】SAT剪刀算符如何设置 (0/593) happytoko 2011-02-06 2011-02-06 20:46:22 by happytoko
[Vasp&Me ] 【求助】用berry phase计算铁电材料的electric polarization (2/864) fliablepig 2011-01-31 2011-02-06 09:33:37 by valenhou001
[Vasp&Me ] 【求助】Band Structure calculation using Hybrid Functional (1/1038) B.C.Wang 2011-02-05 2011-02-06 09:25:23 by valenhou001
[Vasp&Me ] 【求助】大家是怎么看待PDOS的? (16/1698) jugengfans 2011-01-23 2011-02-03 04:01:19 by jugengfans
[Vasp&Me ] 【求助】VASP高对称点设置时C坐标与R坐标可以互相转化吗? (2/427) 夕阳西下 2011-01-29 2011-01-30 23:30:34 by phy-liwei
[Vasp&Me ] 【求助】vasp运行停止,不知什么原因 (评阅+1) (2/599) xx2008 2011-01-26 2011-01-30 04:44:21 by jghe
[Vasp&Me ] 【求助】vasp集群提交任务 (2/458) Gina88 2011-01-24 2011-01-28 19:06:14 by 轻风龙骑士
[Vasp&Me ] 【求助完毕】程序表示什么意思? (5/1256) Gina88 2011-01-25 2011-01-26 11:49:40 by sunyang1988
[Vasp&Me ] 【求助】硫原子的能量 (金币≥80)(1/49) zzzal 2011-01-23 2011-01-25 19:00:58 by valenhou001
[Vasp&Me ] 【求助】画态密度图 (7/1924) xiaojie7783 2011-01-13 2011-01-25 13:10:16 by frank_zhan
[Vasp&Me ] 【求助】atomeye软件谁有呢 (1/370) ustbwgs 2011-01-22 2011-01-23 20:22:58 by y1ding
[Vasp&Me ] 【求助】K点设置问题 (3/661) taishasa 2011-01-22 2011-01-23 17:46:39 by taishasa
[Vasp&Me ] 【求助】计算带结构 (3/415) xx2008 2011-01-21 2011-01-23 15:02:42 by qiqi2926
[Vasp&Me ] 【求助】结构优化与静态计算的INCAR 的参数设置 (6/3379) xx2008 2011-01-19 2011-01-23 08:45:39 by songdewang
[Vasp&Me ] 【求助】谢谢 (1/193) xx2008 2011-01-20 2011-01-22 16:47:06 by 4010808
[Vasp&Me ] 【求助】求助如何用vasp算应变和应力的关系 (2/1962) hiyangyue 2011-01-20 2011-01-21 16:08:53 by 虾米学习
[Vasp&Me ] 【求助完毕】六方晶格下O2电荷密度为什么严重小? (3/746) cenwanglai 2011-01-18 2011-01-19 19:00:48 by bingmou
[Vasp&Me ] [关贴]【求助】自动生成VASP 计算原始文件夹 (1/387) 拓海1627 2011-01-18 2011-01-19 11:08:47 by wo8165827
[Vasp&Me ] 【求助】请问neighbors.pl如何使用?如何得到团簇原子间的平均键长? (1/265) piaoxue001 2011-01-18 2011-01-19 09:06:55 by piaoxue001
[Vasp&Me ] 【求助】一个有关结构优化过程中CONTAR的问题    ( 1 2 ) (14/1347) babaleo 2010-10-22 2011-01-17 09:24:20 by babaleo
[Vasp&Me ] 【求助】有关POSCAR的问题! (9/1142) 学员UKbkc5 2010-07-30 2011-01-16 19:09:05 by zzy870720z
[Vasp&Me ] 【求助】有关NM稳定性的问题! (0/460) Gina88 2011-01-16 2011-01-16 17:53:07 by Gina88
[Vasp&Me ] 【求助】VASP+PHON算声子谱的简单问题 (2/461) 110327789 2011-01-15 2011-01-16 15:46:49 by gavinliu7390
[Vasp&Me ] 【讨论】Ti 和Zr 等hcp结构晶体的 POSCAR设定(3J) (4/2138) longmei_cn 2009-10-26 2011-01-16 15:11:54 by zugulitang
[Vasp&Me ] 【求助】如何根据cell文件写poscar    ( 1 2 ) (11/1746) xiaowu787 2010-11-02 2011-01-16 14:48:08 by zugulitang
[Vasp&Me ] 【求助】outcar2poscar 从VASP分子动力学的OUTCAR中提取POSCAR出错 (评阅+1) (10/1895) dragonlong 2010-12-23 2011-01-16 14:45:45 by zugulitang
[Vasp&Me ] 【其他】POSCAR里,数字的单位是什么    ( 1 2 ) (10/1962) ustbwgs 2010-12-02 2011-01-16 10:54:15 by sunyang1988
[Vasp&Me ] 【求助】请问用vasp做弛豫计算后哪里看其应力stress tensor呢? (4/2207) liumiao05 2010-01-19 2011-01-15 23:46:29 by sunyang1988
[Vasp&Me ] 【求助】求助VASP文件 求助成功,可关闭 (0/353) gmy1990 2011-01-15 2011-01-15 11:17:06 by gmy1990
[Vasp&Me ] [关贴]【原创】【调查】如果开办VASP培训班,你最想学到什么?    ( 1 2 ) (10/2814) lyntea 2011-01-14 2011-01-15 10:39:21 by blacksky00
[Vasp&Me ] 【问题征集讨论】CONTCAR中的原子名称说明行 (7/1656) youzhizhe 2010-12-25 2011-01-14 13:55:48 by ustbwgs
[Vasp&Me ] 【求助】The distance between some ions is very small (18/2999) ustbwgs 2011-01-08 2011-01-14 10:22:42 by fzuvivi
[Vasp&Me ] 【求助】关于2d的graphene材料真空层的选取 (6/981) 学员UKbkc5 2010-12-09 2011-01-13 21:56:56 by frank_zhan
[Vasp&Me ] 【求助】界面结合能与外延择优取向 (5/1177) yq2240711 2011-01-10 2011-01-13 17:09:58 by wuyuxiah
[Vasp&Me ] 【求助】缺陷合成及其形成能计算 (0/539) black_leopard 2011-01-13 2011-01-13 15:52:19 by black_leopard
[Vasp&Me ] 【求助】VASP 计算能带处理程序运行提示错误 (0/352) 夕阳西下 2011-01-13 2011-01-13 01:16:43 by 夕阳西下
[Vasp&Me ] 【求助】OUTCAR中有关K点内容的理解 (4/1222) ustbwgs 2011-01-10 2011-01-12 11:11:08 by yzhang2010
[Vasp&Me ] 【求助】VASP计算结构处理工具 (3/711) enola 2011-01-09 2011-01-12 08:50:29 by enola
[Vasp&Me ] 【其他】vasp5.2 group name (1/250) hlshi 2011-01-11 2011-01-11 09:47:45 by hlshi
[Vasp&Me ] 【求助】关于电子自洽 (3/1302) lgxyz 2011-01-07 2011-01-10 20:04:40 by sunyang1988
[Vasp&Me ] 【求助】什么是fixed-spin-moment calculations(FSM)?可分析什么?VASP怎么做? (5/993) zhjh888888 2011-01-08 2011-01-10 19:31:53 by zhjh888888
[Vasp&Me ] 【求助】怎样计算表面能??? (0/348) kmw.8668 2011-01-10 2011-01-10 13:14:23 by kmw.8668
[Vasp&Me ] 【求助】我编译出来的vasp可执行文件是否链接正确了? (4/631) zyj8119 2011-01-09 2011-01-10 12:04:06 by zyj8119
[Vasp&Me ] 【求助】崩溃 VASP 90个小时 (5/736) 拓海1627 2011-01-08 2011-01-10 04:30:04 by mooncakeaa
[Vasp&Me ] 【求助成功】Vasp编译问题,换了一个编译器就好啦 (0/558) yzh1977 2011-01-07 2011-01-09 22:26:03 by yzh1977
[Vasp&Me ] 【求助】slab模型的电子结构计算 (5/1978) nkleof 2010-12-16 2011-01-09 12:27:23 by wei.ji
[Vasp&Me ] 【求助】请问vasp能不能算加磁场的情况 (1/1359) tinkie0411 2011-01-06 2011-01-09 03:11:45 by tinkie0411
[Vasp&Me ] 【求助】请问哪位高手怎么用VSAP计算物质的能带结构和磁性 (5/1196) zh060702012 2010-11-12 2011-01-09 00:23:15 by liuxiaoe
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