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    [热点] 27秋申博自荐 且听风吟时 2026-10-26 刚刚
    [Siesta& ] 【分享】siestaz中orderN算法简介。ppt (12/1489) dalongmao 2009-04-23 2010-02-06 14:17:00 by njuxyh
    [Vasp&Me ] 【讨论】用VASP或CASTEP计算NiO能带是否合适? (评阅+2) (6/2197) cos60 2009-08-11 2010-02-06 11:05:24 by awmc2008
    [Vasp&Me ] 【求助】关于VASP运行    ( 1 2 ) (10/933) 含草 2009-06-30 2010-02-06 06:20:50 by wjhwoods
    [Vasp&Me ] 【讨论】vasp计算DOS    ( 1 2 ) (评阅+2) (14/2849) xiaojie7783 2009-07-15 2010-02-06 06:16:43 by wjhwoods
    [Vasp&Me ] 【求助】hands-son3 教程里算Ni100 表面能,图如何画 (6/730) 020080730 2009-07-22 2010-02-06 06:12:42 by wjhwoods
    [Vasp&Me ] 【求助】p4vasp在Vista操作系统下的安装 19 (6/761) yiya3528 2009-08-21 2010-02-06 06:02:53 by wjhwoods
    [Vasp&Me ] 【求助】请教VASP脚本的问题 (6/727) hdh912 2009-08-29 2010-02-06 05:58:48 by wjhwoods
    [Vasp&Me ] 【讨论】侯博士的脚本 (8/1226) 子虚乌有5388 2009-09-14 2010-02-06 05:46:39 by wjhwoods
    [Vasp&Me ] 【求助】VASP如何在单个节点上运行 (7/1045) longchang 2009-09-16 2010-02-06 05:45:10 by wjhwoods
    [Vasp&Me ] 【求助】请教ICSD卡片中原子坐标符号意思 3 (2/464) longmei_cn 2009-09-16 2010-02-06 05:40:48 by wjhwoods
    [Vasp&Me ] 【求助】关于Linux版本的选择及VASP编译 (7/992) calos818 2009-09-20 2010-02-06 05:37:19 by wjhwoods
    [Vasp&Me ] 【求助】关于处理vasp结果的小脚本split_dos 的运行问题 (7/1297) ron_hai 2009-05-04 2010-02-06 05:36:23 by wjhwoods
    [Vasp&Me ] 【求助】如何让vasp算出来的fermi能级不在价带顶? 4 (5/1350) jghe 2009-09-16 2010-02-06 05:29:05 by wjhwoods
    [Vasp&Me ] 【求助】请教脚本编写和执行的问题    ( 1 2 ) (18/1839) Sassari 2009-09-06 2010-02-06 05:26:21 by wjhwoods
    [Vasp&Me ] 【求助】WAVECAR能用什么软件读取 (1/264) hbfxxj 2009-10-02 2010-02-06 05:25:12 by wjhwoods
    [Vasp&Me ] 【求助】布里渊区的对称点 (7/913) feiyumeng 2009-09-28 2010-02-06 05:19:40 by wjhwoods
    [Vasp&Me ] 【求助】如何对应能带计算中的k点和IBZKPT中的k点? 3 (1/443) 405963512 2009-10-06 2010-02-06 05:17:49 by wjhwoods
    [Vasp&Me ] 【讨论】分子动力学模拟、结构优化、结构弛豫 17 (6/1767) 子虚乌有5388 2009-09-17 2010-02-06 05:16:15 by wjhwoods
    [Vasp&Me ] 【求助】vasp计算关于poscar及弹性常数    ( 1 2 ) (12/1455) yangfangwi 2009-08-15 2010-02-06 05:15:20 by wjhwoods
    [Vasp&Me ] 【求助】Vasp运行求助:老是找不到POSCAR (6/864) calos818 2009-10-12 2010-02-06 05:11:05 by wjhwoods
    [Vasp&Me ] 【求助】求表面电子结构分析教程 (1/288) abcasi 2009-10-11 2010-02-06 05:08:42 by wjhwoods
    [Vasp&Me ] 【讨论】vasp 计算能带 1 (6/494) wangzg9292 2009-10-09 2010-02-06 05:07:05 by wjhwoods
    [Vasp&Me ] 【求助】VASP中Fermi能 (6/743) cindyzxx 2009-10-09 2010-02-06 05:06:35 by wjhwoods
    [Vasp&Me ] 【求助】VASP下载 7 (2/828) linldq 2009-10-13 2010-02-06 04:55:23 by wjhwoods
    [Vasp&Me ] 【求助】K点设置 3 (1/370) stractor 2009-10-21 2010-02-06 04:34:27 by wjhwoods
    [Vasp&Me ] 【原创】招材料计算方向博士后    ( 1 2 ) (评阅+3) (11/1652) fannyzhou 2009-10-14 2010-02-06 04:30:39 by wjhwoods
    [Vasp&Me ] 【求助】GGA泛函和赝势哪种比较好    ( 1 2 ) (13/1796) cindyzxx 2009-11-11 2010-02-06 04:05:50 by Sunnyin
    [Vasp&Me ] 【转帖】[分享] 如何用VASP计算单个原子的能量和能级 (3/1628) zdhlover 2009-06-26 2010-02-06 03:53:41 by wjhwoods
    [Vasp&Me ] 【求助】请教vasp.4.4中关于六角晶系中KPOINTS设置的问题    ( 1 2 3 ) (20/1931) wenxuan5788 2009-10-29 2010-02-06 03:51:00 by wjhwoods
    [QE(Pwsc ] 【其他】有研究电声耦合的虫友吗? 8 (4/853) watermall 2010-01-15 2010-02-06 03:50:47 by Sunnyin
    [Vasp&Me ] 【求助】分数作标与笛卡尔坐标是不是这样的? (6/1080) yq2240711 2009-11-06 2010-02-06 03:41:21 by wjhwoods
    [Vasp&Me ] 【求助】请问 eV/f.u.是什么单位? (7/3655) wenxuan5788 2009-11-02 2010-02-06 03:38:07 by wjhwoods
    [Vasp&Me ] 【讨论】如何分析键长 (1/290) 小艾丫丫 2009-11-08 2010-02-06 03:37:32 by wjhwoods
    [Vasp&Me ] 【讨论】如何计算键长    ( 1 2 ) (评阅+1) (11/2920) 小艾丫丫 2009-11-08 2010-02-06 03:37:12 by wjhwoods
    [Vasp&Me ] 【求助】某些原子的态密度作图 5 (3/547) 405963512 2009-11-07 2010-02-06 03:36:31 by wjhwoods
    [Vasp&Me ] 【求助】ZnO nanowire 结构优化c值 (6/857) ddang100 2009-11-04 2010-02-06 03:30:55 by wjhwoods
    [Vasp&Me ] 【求助】如何把优化结果输入到MS看k点情况 1 (3/679) lgn 2009-11-09 2010-02-06 03:29:44 by wjhwoods
    [Vasp&Me ] 【求助】VASP运行提示? 各位帮我看看,有些疑惑 (5/1690) calos818 2009-11-10 2010-02-06 03:24:12 by wjhwoods
    [Vasp&Me ] 【分享】共享一本做氢相关问题的书籍 (37/3168) limaojlu 2009-12-30 2010-02-06 03:09:32 by wjhwoods
    [Vasp&Me ] 【求助】vasp算出来的fermi level在带隙中是怎么回事? (5/856) blueiker 2009-05-28 2010-02-06 02:58:29 by wjhwoods
    [Vasp&Me ] 【求助】关于k点问题 (7/858) lightwlj 2009-12-02 2010-02-06 02:56:16 by wjhwoods
    [MS] 【求助】请问怎样将vasp产生的电荷密度文件转化为ms的可视格式? (6/857) grass6210 2010-02-03 2010-02-05 23:14:23 by grass6210
    [MS] 【求助】MS运行时拒绝的权限,怎么解决? 5 (7/964) Hello_cl 2010-01-30 2010-02-05 14:02:03 by 我思固我在
    [Vasp&Me ] 【求助】关于CHGCAR (4/577) grass6210 2010-02-04 2010-02-05 12:50:05 by grass6210
    [MS] 【求助】固溶体的建模问题,严重感谢!!!!! 16 (6/1038) jdy19862002 2010-02-02 2010-02-05 12:20:23 by shelay
    [Vasp&Me ] 【求助】如何用Medea画吸附分子的部分态密度图 (2/346) jun.ren 2009-07-28 2010-02-05 11:35:31 by hakuna
    [Siesta& ] 【求助】有关自相互作用修正的问题 (0/166) xiaogai 2010-02-05 2010-02-05 11:07:22 by xiaogai
    [Vasp&Me ] 【求助】从晶体库坐标到poscar? (9/1104) 405963512 2009-05-19 2010-02-05 10:58:27 by 405963512
    [MS] 【求助】关于castep与dmol3计算频率的问题 1 (6/1027) zhanping 2010-02-03 2010-02-05 08:43:48 by zhanping
    [Vasp&Me ] 【求助】VASP初学者 (7/1214) Wanghui6383 2009-06-29 2010-02-05 06:01:18 by wjhwoods
    [Vasp&Me ] 【求助】【求助】怎么检测VASP计算中的结构和电子(electronic and structural)的收� (2/355) liyong.gan 2009-06-14 2010-02-05 05:56:47 by wjhwoods
    [Vasp&Me ] 【转帖】VASP中sigma参数对磁矩的影响 (2/2197) zdhlover 2009-06-26 2010-02-05 05:54:55 by wjhwoods
    [Vasp&Me ] 【求助】10金币 请教 INCAR文件中几个参数的含义 2 (5/879) longmei_cn 2009-05-25 2010-02-05 05:51:27 by wjhwoods
    [Vasp&Me ] 【求助】使用SSH如何运行脚本文件? (3/745) longchang 2009-04-29 2010-02-05 05:47:01 by wjhwoods
    [Vasp&Me ] 【求助】分析dos,作图问题 (评阅+1) (8/1532) tiantian2921 2009-11-20 2010-02-05 05:20:27 by wjhwoods
    [Vasp&Me ] 【分享】vasp画能带可视化工具BS4VASP (18/3148) mywai520 2009-09-08 2010-02-05 05:15:40 by wjhwoods
    [Vasp&Me ] 【讨论】第一性原理程序计算晶体缺陷 5 (7/1240) wwl5213384 2009-11-22 2010-02-05 05:12:11 by wjhwoods
    [Vasp&Me ] 【求助】求助vasp作图用的小工具    ( 1 2 ) (16/1497) Wanghui6383 2009-07-19 2010-02-05 05:02:16 by wjhwoods
    [Vasp&Me ] 【求助】请教vasp电荷问题 (2/249) duoruimi 2009-11-30 2010-02-05 04:57:50 by wjhwoods
    [Vasp&Me ] 【求助】vasp运行    ( 1 2 ) (13/1096) wangzg9292 2009-11-21 2010-02-05 04:57:09 by wjhwoods
    [Vasp&Me ] [资源]VASP新手建议 (35/5143) y1ding 2009-03-02 2010-02-05 04:50:12 by wjhwoods
    [Vasp&Me ] 【求助】vasp 赝势 (3/583) citrine 2009-12-18 2010-02-05 04:49:49 by wjhwoods
    [Vasp&Me ] 【求助】国内高校或研究所哪做vasp做的比较好的? 12 (3/761) 黄随便 2009-12-07 2010-02-05 04:46:13 by wjhwoods
    [Vasp&Me ] 【求助】对VASP的输出请教 (6/870) jarlon 2009-12-15 2010-02-05 04:43:17 by wjhwoods
    [Vasp&Me ] 【讨论】晶格优化问一问    ( 1 2 ) (15/1542) yangfangwi 2009-10-06 2010-02-05 04:42:25 by wjhwoods
    [Vasp&Me ] 【求助】如何从算出的E-a数值拟和出晶格常数a0    ( 1 2 ) (18/1167) yq2240711 2009-11-11 2010-02-05 04:41:42 by wjhwoods
    [Vasp&Me ] 【求助】求助:在linux系统下运行VASP 5 (4/651) leafting 2009-12-30 2010-02-05 04:38:22 by wjhwoods
    [Vasp&Me ] 【讨论】vasp计算中如何指定结构的对称性 (12/2187) ice_rain 2009-12-22 2010-02-05 04:34:51 by wjhwoods
    [Vasp&Me ] 【求助】用VASP进行团簇计算问题?    ( 1 2 ) 30 (10/1590) shchb 2009-12-12 2010-02-05 04:34:32 by wjhwoods
    [Vasp&Me ] 【求助】请教布里渊区特殊K点的书写 (5/1029) leoaqu 2010-01-04 2010-02-05 04:33:25 by wjhwoods
    [Vasp&Me ] 【分享】元素周期表 (17/1962) wo8165827 2009-12-29 2010-02-05 04:30:46 by wjhwoods
    [Vasp&Me ] 【求助】VASP的安装问题    ( 1 2 ) (11/1053) 王和禹 2010-01-01 2010-02-05 04:29:56 by wjhwoods
    [Vasp&Me ] 【求助】vasp 计算单个原子的能量 (6/1217) qkzh3091 2010-01-21 2010-02-05 04:29:14 by wjhwoods
    [Vasp&Me ] 【求助】VASP中 原子能级问题    ( 1 2 ) 4 (11/1562) 阿勇 2010-01-11 2010-02-05 04:04:09 by wjhwoods
    [Vasp&Me ] 【分享】VASP编译命令 (+3) (7/1680) qnsyhanjiu 2010-01-09 2010-02-05 04:02:14 by wjhwoods
    [Vasp&Me ] 【求助】如何计算但原子的能量 (6/685) hbl626 2010-01-11 2010-02-05 04:00:39 by wjhwoods
    [Vasp&Me ] 【求助】vasp运行命令文件 (4/937) longchang 2010-01-09 2010-02-05 03:59:05 by wjhwoods
    [Vasp&Me ] 【求助】kpoints测试 1 (5/624) 405963512 2010-02-04 2010-02-05 03:40:38 by wjhwoods
    [Siesta& ] 【求助】how to calculate system energy? (4/460) xli6 2010-02-03 2010-02-05 02:15:20 by xli6
    [其他] 【求助】E5520八颗在windows serve 2003下显示16颗? (7/564) loovfnd 2010-02-03 2010-02-04 21:19:14 by zhxd1028
    [Vasp&Me ] 【其他】Dell R710服务器系统 (1/192) bearpow 2010-02-04 2010-02-04 21:10:26 by y1ding
    [MS] 【求助】如何计算ionic charge and the Mulliken charge (1/345) imunbg 2010-01-19 2010-02-04 20:11:26 by mouse3511
    [MS] 【求助】金属离子吸附磷酸根离子的建模问题 5 (0/250) ruifeng 2010-02-04 2010-02-04 12:53:03 by ruifeng
    [Vasp&Me ] 【求助】请教收敛的问题 15 (1/224) liumiao05 2010-02-04 2010-02-04 11:25:12 by 405963512
    [MS] 【求助】并行计算 过渡态 描述势垒 4 (2/269) 爱惜花草 2010-02-03 2010-02-04 08:25:42 by 爱惜花草
    [其他] 精华I:  【分享】08年新书免费下载Computational physics of carbon nanotubes    ( 1 2 ) (76/6640) redskywei 2009-10-23 2010-02-04 07:39:27 by index2008
    [Vasp&Me ] 【求助】encut收敛测试精确度不够 (5/774) 405963512 2010-02-03 2010-02-04 00:36:50 by liumiao05
    [Wien2k& ] 【讨论】有谁到上海超算用过WIEN2K计算吗    ( 1 2 3 ) (29/2224) benzscu 2009-09-08 2010-02-03 19:07:14 by yankai131
    [Vasp&Me ] 【求助】vasp如何建模? (金币≥1)(6/132) 405963512 2009-05-19 2010-02-03 17:53:33 by calos818
    【求助】materialsStudio在哪里下载?用中文手册吗? (5/850) yu10230612 2009-06-20 2010-02-03 16:23:31 by liuxianlv
    [Wien2k& ] 【求助】2p和4d轨道电子 LDA+U的设置 (2/871) yuxc 2010-02-01 2010-02-03 13:08:47 by gzqdyouxia
    [MS] 【求助】关于含有氧空位的掺杂优化疑问 1 (4/515) jdy19862002 2010-01-30 2010-02-03 10:13:20 by 6314258liu
    [MS] 【求助】potentials表示意义 (2/212) cosmicking 2010-02-02 2010-02-02 21:00:39 by cosmicking
    [MS] 【求助】linux下的ms出错了 2 (5/724) franch 2010-01-23 2010-02-02 20:25:18 by lono75
    [其他] 【求助】linux 的group文件怎么修改 3 (0/124) franch 2010-02-02 2010-02-02 19:10:46 by franch
    [Abinit] 【求助】abinit 5.8.4 for linux 的安装 (3/426) 学员nCkc5W 2010-02-02 2010-02-02 16:46:31 by lono75
    [MS] 【求助】准谐德拜模型的适用范围 14 (4/792) leillei 2010-01-27 2010-02-02 16:06:29 by qgqgrm
    [Vasp&Me ] 【讨论】vasp中NEB计算离子驰豫太慢了,怎么提高速度? (7/1200) huijiany 2009-10-28 2010-02-02 14:46:50 by liyong.gan
    [Vasp&Me ] 【求助】vasp能带计算不下来 3 (8/932) 405963512 2010-01-30 2010-02-02 14:39:29 by 405963512
    [Vasp&Me ] 【求助】vasp 编译出错,请大家帮忙 (8/1125) 405963512 2010-01-19 2010-02-02 14:33:38 by lono75
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