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[热点] 面上基金申报没有其他的参与者成吗 默默的小虫子 2026-02-02 刚刚
[Vasp&Me ] [已完结]请教VASP CI-NBE分析脚本的使用问题 (6/1441) wzbhit 2012-09-21 2012-09-24 14:46:42 by wzbhit
[Vasp&Me ] [已完结]如何实现体系的空穴或者电子掺杂的计算？ (3/3048) 子虚乌有5388 2012-09-23 2012-09-24 13:47:54 by 子虚乌有5388
[Vasp&Me ] [已完结]GotoBLAS2 安装到text 报错，求高手支援 (0/522) feifei36 2012-09-24 2012-09-24 11:16:04 by feifei36
[Vasp&Me ] [已完结]SSH无法登录 (5/555) niuxiaoqi721 2012-09-23 2012-09-24 09:21:16 by niuxiaoqi721
[Vasp&Me ] [已完结]很奇怪的石墨烯DOS，请大家帮忙看看    ( 1 2 ) (13/2569) AesNaegea 2012-07-05 2012-09-23 06:05:52 by chuanghua304
[Vasp&Me ] [已完结]请教：截断能为什么是409这种奇怪的数字？为什么要交代未成对电子数Ns？ (9/1291) cenwanglai 2012-09-21 2012-09-22 17:02:09 by cenwanglai
[Vasp&Me ] [已完结]vasp 计算Fe dzx 态的电荷分布？ (0/268) gfei2008 2012-09-22 2012-09-22 16:05:13 by gfei2008
[Vasp&Me ] [已完结]VASP5.2光学性质 (2/689) x夏日的约定 2012-09-21 2012-09-22 09:22:24 by x夏日的约定
[Vasp&Me ] [已完结]openmpi安装问题，需要帮助！ (0/426) happyfishs 2012-09-21 2012-09-21 16:32:00 by happyfishs
[Vasp&Me ] [已完结]DOS图读出的带隙值比带图中的大 (2/1333) xx2008 2012-09-21 2012-09-21 15:16:06 by langxueyin
[Vasp&Me ] [已完结]VASP计算磁性 (3/498) mengfc 2012-09-19 2012-09-21 09:15:39 by jghe
[Vasp&Me ] [已完结]算DOS时出错    ( 1 2 ) (15/3372) thelrgbird 2011-10-04 2012-09-21 07:22:53 by hs0218
[Vasp&Me ] [已完结]表面的弛豫问题 (1/416) lyylyy1 2012-09-17 2012-09-20 21:11:40 by yourne
[Vasp&Me ] [已完结]差分电荷密度图 (1/1056) liuqun 2012-09-20 2012-09-20 20:31:08 by wenzhiqin
[Vasp&Me ] [已完结]一般文献中提到的k点是指静态计算还是DOS计算 (5/1073) hyff0809 2012-09-10 2012-09-20 20:11:59 by hyff0809
[Vasp&Me ] [已完结][关贴]vasp 分子动力学具体步骤和相关参数设置 出错例子分析 (0/1739) wz5409025 2012-09-18 2012-09-20 17:06:57 by wz5409025
[Vasp&Me ] [已完结]使用ifort+MKL编译VASP，出错信息却是gfortran    ( 1 2 ) (11/2785) gleerat 2012-07-24 2012-09-20 09:13:37 by onion2440
[Vasp&Me ] [已完结]焓计算的问题H=E-PV (2/1430) enola 2012-05-17 2012-09-20 05:52:22 by enola
[Vasp&Me ] [已完结]求公式 (0/165) lizhiyi1017 2012-09-19 2012-09-19 17:14:24 by lizhiyi1017
[Vasp&Me ] [已完结]vasp计算中报错 collective abort of all ranks (1/462) Tea_Candy 2012-09-15 2012-09-19 16:39:59 by hakuna
[Vasp&Me ] [已完结]berry phase 参考态    ( 1 2 3 4 ) (35/2089) tuhaidan 2012-05-23 2012-09-19 11:28:20 by iamikaruk
[Vasp&Me ] [已完结]VASP计算任务掉了，接着计算如何改INCAR (6/2174) yhailing 2012-09-16 2012-09-19 09:04:29 by wangziyan3
[Vasp&Me ] [已完结]表面吸附，计算路径不同，对应不同的结果 (5/998) Prettyswan 2012-09-17 2012-09-19 06:23:47 by hakuna
[Vasp&Me ] [已完结]各位帮忙看看评审人的这个问题是什么意思 (1/297) maliangcai 2012-09-18 2012-09-19 06:13:57 by hakuna
[Vasp&Me ] [已完结]VASP：电子步收敛问题 (3/1765) gougou531 2011-11-14 2012-09-19 06:00:27 by hchuanqi
[Vasp&Me ] 什么情况下，考虑打破对称性？ (3/1108) Mr_WuSH 2012-09-17 2012-09-17 23:29:45 by umklapp
[Vasp&Me ] [已完结]phonopy计算Ag2O声子谱出现错误 (0/450) yuyu8602 2012-09-17 2012-09-17 17:57:28 by yuyu8602
[Vasp&Me ] [已完结]知道x,y,怎么求z    ( 1 2 ) (11/1121) hy1987007 2012-09-16 2012-09-16 20:29:30 by hy1987007
[Vasp&Me ] [已完结]紧急求助，急，急 (4/496) guodonglin 2012-09-14 2012-09-16 19:20:26 by future_wl
[Vasp&Me ] [已完结]MgLi2Al MgLiAl2结构 (6/829) lizhiyi1017 2012-09-10 2012-09-15 16:42:02 by blablablu
[Vasp&Me ] [已完结]求结构 (0/167) lizhiyi1017 2012-09-15 2012-09-15 08:32:18 by lizhiyi1017
[Vasp&Me ] 想要看懂VASP的代码，并且能够具有开发能力，需要看哪些书？ (15/1142) zyj8119 2012-09-10 2012-09-14 23:17:32 by liudongyun
[Vasp&Me ] [已完结]Fe单原子赝势测试？    ( 1 2 ) (10/1620) niuxiaoqi721 2012-08-09 2012-09-14 14:51:36 by niuxiaoqi721
[Vasp&Me ] [已完结]VESTA手册中有一句死活没看懂。 (0/431) dyc_2008 2012-09-14 2012-09-14 13:46:47 by dyc_2008
[Vasp&Me ] [已完结]能带计算 KPOINTS (0/814) fjfuzhou 2012-09-14 2012-09-14 11:29:28 by fjfuzhou
[Vasp&Me ] [已完结]请问vasp里面的tutor/diamond 目录在哪？ (2/739) huangye2001 2012-09-12 2012-09-14 08:55:27 by huangye2001
[Vasp&Me ] [已完结]vasp 计算电荷密度问题，急！ (0/680) xiehui0608 2012-09-13 2012-09-13 22:03:51 by xiehui0608
[Vasp&Me ] [已完结]chgcar2grd 的问题 (0/687) lascqy 2012-09-13 2012-09-13 18:13:41 by lascqy
[Vasp&Me ] [已完结][关贴]bader如何计算磁矩？ (0/346) panjinbo87 2012-09-13 2012-09-13 15:18:08 by panjinbo87
[Vasp&Me ] [已完结]结构优化 0/1——>0.9829307947555620 (0/127) tuhaidan 2012-09-13 2012-09-13 14:57:25 by tuhaidan
[Vasp&Me ] [已完结]差分电荷密度，差出负数怎么办？ (1/944) dyc_2008 2012-09-12 2012-09-13 08:48:48 by avan
[Vasp&Me ] [已完结]bader    ( 1 2 3 ) (20/2026) fjfuzhou 2012-07-01 2012-09-12 13:23:46 by haowenping
[Vasp&Me ] [已完结]DO3结构计算反铁磁 (2/697) llg1987 2012-09-12 2012-09-12 13:17:21 by souledge
[Vasp&Me ] 学好VASP，需要看哪些书籍    ( 1 2 ) (10/2815) xmr0125 2011-06-16 2012-09-12 05:26:03 by xmr0125
[Vasp&Me ] 每个核心的效率都是100%了，但是感觉它还是没有跑起来 (1/338) gleerat 2012-09-11 2012-09-11 23:19:01 by gmmy
[Vasp&Me ] [已完结]vasp运行时报错： Error reading item 'IMAGES' from file INCAR. (8/1516) fy-dream 2012-09-07 2012-09-11 20:44:59 by fy-dream
[Vasp&Me ] [已完结]【求助】关于VASP说明书的问题。我不懂说明书的方法 (3/508) chenxin1992 2012-08-27 2012-09-11 20:10:58 by BlueAurora
[Vasp&Me ] [已完结]根据born effect charge张量，求电极化矢量 (0/475) tuhaidan 2012-09-11 2012-09-11 20:03:35 by tuhaidan
[Vasp&Me ] vasp (25/1209) zuocuiping 2012-09-07 2012-09-11 17:07:28 by 584204004
[Vasp&Me ] [已完结]vasp 计算结果画PDOS图 (2/1894) xiehui0608 2012-09-11 2012-09-11 16:43:01 by 9789074
[Vasp&Me ] [已完结]DIPOL如此设置对吗？ (2/1376) tuhaidan 2012-07-03 2012-09-11 12:11:06 by tuhaidan
[Vasp&Me ] [已完结]与vasp连接的软件如何设置计算时的核数？ (0/1864) tt-0-8 2012-09-11 2012-09-11 10:38:37 by tt-0-8
[Vasp&Me ] [已完结]用vasp的DFPT计算玻恩有效电荷应该是什么过程 (8/2609) byin 2011-09-21 2012-09-11 09:31:32 by tuhaidan
[Vasp&Me ] [已完结]VASP静态自洽计算，能量升高7eV，然后局域磁矩消失，请问是什么问题？ (8/2520) liyong.gan 2012-08-24 2012-09-10 23:02:45 by fanarsenal
[Vasp&Me ] [已完结]vasp DFPT方法求 Born effect charge ？ 相关资料？ INCAR如何设置？ (0/318) tuhaidan 2012-09-10 2012-09-10 15:29:41 by tuhaidan
[Vasp&Me ] [已完结]VASP结构优化出错 (9/2224) thelrgbird 2011-09-15 2012-09-10 12:18:33 by future_wl
[Vasp&Me ] [已完结]vasp计算中的dE是那两个数值之差 (5/1434) sunxuancheng 2011-11-27 2012-09-10 08:22:59 by future_wl
[Vasp&Me ] 【求助】关于金属表面吸附 (10/1914) chiqiong 2011-03-09 2012-09-09 12:41:13 by hakuna
[Vasp&Me ] 如何进行磁性的优化 (4/506) 171713294 2012-09-08 2012-09-09 11:07:39 by 171713294
[Vasp&Me ] [已完结]立方zro2 totalDOS和band图出现问题！！！ (1/595) yylhoodma 2012-09-08 2012-09-09 10:22:57 by zhangfan2192
[Vasp&Me ] [已完结]ZBRENT: fatal internal in brackting (1/1178) ffzx 2012-09-09 2012-09-09 10:16:31 by zhangfan2192
[Vasp&Me ] vesta的bug貌似还不少呢    ( 1 2 ) (10/1317) Prettyswan 2012-09-05 2012-09-08 18:33:34 by Prettyswan
[Vasp&Me ] [已完结]请教购买过vasp的小组 (0/234) njdxllwl 2012-09-08 2012-09-08 09:56:27 by njdxllwl
[Vasp&Me ] [已完结]怎么算不了单原子    ( 1 2 ) (17/1478) chenxin1992 2012-09-06 2012-09-08 09:13:08 by chenweiguang
[Vasp&Me ] 斜的unit vector該如何變成直的 (2/283) lalaloyo500 2012-09-07 2012-09-08 08:27:14 by chenweiguang
[Vasp&Me ] VASP上的MAGMON方向問題 (3/510) lalaloyo500 2012-09-05 2012-09-07 15:33:39 by lalaloyo500
[Vasp&Me ] [已完结]怎么用vasp的计算结果分析分子中各原子带电多少情况 (6/1695) wang-lf09 2012-06-18 2012-09-07 08:08:41 by fjfuzhou
[Vasp&Me ] VASP 软件价格 (14/2776) 026li 2012-09-05 2012-09-06 18:28:10 by chenxin1992
[Vasp&Me ] [关贴]反应路径计算(NEB&CNEB) (评阅+1) (12/4174) cenwanglai 2012-07-26 2012-09-06 09:38:10 by cenwanglai
[Vasp&Me ] [已完结]计算性质时，晶格弛豫得到的CHGCAR和WAVECAR文件还有用吗？ (6/1344) future_wl 2012-08-31 2012-09-06 09:24:54 by future_wl
[Vasp&Me ] [已完结]做NEB计算时，初始态和终了态的结构优化收敛精度可以和各image不一样么？ (2/924) jiehade123 2012-07-14 2012-09-05 21:43:28 by manester52
[Vasp&Me ] VESTA的漏洞，大家看看是怎么回事 (5/1622) chenxin1992 2012-09-04 2012-09-05 16:58:01 by enola
[Vasp&Me ] [已完结]问大家一个问题，关于材料计算的 (0/209) chenxin1992 2012-09-05 2012-09-05 13:14:25 by chenxin1992
[Vasp&Me ] [已完结]铁磁与反铁磁状态下的磁矩大小差别很大。 (0/750) liushaking 2012-09-05 2012-09-05 10:49:39 by liushaking
[Vasp&Me ] [已完结]求助一个分割程序 (0/242) kuangfg1987 2012-09-05 2012-09-05 09:40:01 by kuangfg1987
[Vasp&Me ] [已完结]不同版本vasp 计算相同的超胞的能量 差了几十个meV 这算是合理或者是有问题？    ( 1 2 ) (10/2169) stewart1922 2012-09-02 2012-09-04 21:10:20 by Joannaouc
[Vasp&Me ] [已完结]为什么力没有达到收敛标准，就提示已经达到了收敛精度，并且停止了呢？    ( 1 2 3 4 5 ) (40/3751) c03185 2012-08-05 2012-09-04 17:03:26 by c03185
[Vasp&Me ] [已完结]BaTiO3 费米面出现在了带隙顶部 我看的文献都处在 底部啊 原因是什么 (0/326) jidibinghumc 2012-09-04 2012-09-04 14:10:57 by jidibinghumc
[Vasp&Me ] [已完结]求下载 p4vasp-win-0.3.20.zip 网址已告知【已完结】 (2/1395) ApolloYang 2012-04-25 2012-09-04 10:57:43 by feynman1965
[Vasp&Me ] [已完结]VASP 优化自动停掉，OUTCAR有WARNING: aliasing errors (1/1172) prpqling 2012-09-02 2012-09-04 09:25:36 by manester52
[Vasp&Me ] [已完结]部分态密度计算 (0/291) xiehui0608 2012-09-03 2012-09-03 08:46:38 by xiehui0608
[Vasp&Me ] 【求助完毕】电荷密度的颜色标尺怎么做？    ( 1 2 ) (评阅+1) (18/2531) cenwanglai 2010-09-07 2012-09-02 19:18:01 by cenwanglai
[Vasp&Me ] [已完结]VASP 结构弛豫过程中出现WARNING (4/1405) louazhao 2011-06-12 2012-09-02 17:55:44 by prpqling
[Vasp&Me ] vasp计算AFM体系磁矩不为0，求解 (2/1590) dwd0826 2012-08-31 2012-09-02 10:28:16 by dwd0826
[Vasp&Me ] [已完结]mpif90 运行出错求助 (0/518) aylixmut 2012-09-01 2012-09-01 14:44:54 by aylixmut
[Vasp&Me ] [已完结]如何用vesta建立表面结构 (3/2211) Prettyswan 2012-08-31 2012-08-31 21:12:51 by huangll99
[Vasp&Me ] [已完结]I-4能带计算高对称点选择 (评阅-10) (3/716) liuxiaocunde 2012-08-30 2012-08-31 20:28:34 by fzx2008
[Vasp&Me ] [已完结]vasp能不能具体算出GGA+U中的U值？ (2/1884) haowenping 2012-08-27 2012-08-31 11:57:39 by haowenping
[Vasp&Me ] VASP计算论文一篇（含response，支持信息和正文修改痕迹）(校稿已经上传)    ( 1 2 3 4 5 ) (评阅+10) (48/3742) cenwanglai 2012-03-08 2012-08-31 06:21:04 by cenwanglai
[Vasp&Me ] [已完结]半导体负载催化 (2/387) young158 2012-08-28 2012-08-30 15:08:04 by cenwanglai
[Vasp&Me ] [已完结]请教大家一个基础问题 (0/214) lhcl 2012-08-30 2012-08-30 11:06:47 by lhcl
[Vasp&Me ] [已完结]求vasp5.2.11或5.2.12源代码 (5/1002) qiqi2926 2012-08-30 2012-08-30 10:06:02 by qiqi2926
[Vasp&Me ] [已完结]谁用vasp算过催化效率？ (0/689) tangbaowei 2012-08-29 2012-08-29 16:55:35 by tangbaowei
[Vasp&Me ] 能带计算问题 (7/827) forestwolf9291 2012-08-08 2012-08-29 12:58:17 by forestwolf9291
[Vasp&Me ] [已完结]我是菜鸟，vasp中使用的编译器 (0/173) lzlgcdc 2012-08-29 2012-08-29 10:00:27 by lzlgcdc
[Vasp&Me ] [已完结]做vasp计算，公派去美国，去哪里比较好呢，大侠们给个建议！ (4/1207) Gina88 2012-08-26 2012-08-28 15:56:32 by chimegreen
[Vasp&Me ] [已完结]计算声子谱 原子位移怎么找到合理数值... 疑惑 (0/305) provels 2012-08-27 2012-08-28 10:51:02 by provels
[Vasp&Me ] [已完结]声学支求和规则    ( 1 2 ) (10/2004) diqifengyin 2012-08-23 2012-08-27 10:10:51 by diqifengyin
[Vasp&Me ] VASP关键词详解 (3/520) qiaohongbo 2012-08-24 2012-08-27 09:24:07 by future_wl
[Vasp&Me ] [已完结]关于磁性计算的问题 (3/995) llg1987 2012-08-23 2012-08-26 15:21:27 by mousekingadv
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