24小时热门版块排行榜    

申请当版主 | 存档区 |应助排行|1ST强帖排行 小木虫论坛-学术科研互动平台 » 计算模拟区 » 第一性原理 » Vasp&MedeA 订阅
北京石油化工学院2026年研究生招生接收调剂公告

管理团队 (金币库 94088.3 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

专家顾问：
souledge卡开发发dxcharlaryjpchou
荣誉版主：
spurzdhloverwuchenwfwuli8aylayl08zxzj05nono2009fegg7502youzhizhezzy870720zuuv2010御剑江湖yjcmwgkliliangfangben_ladengcenwanglaifzx2008ljw4010
荣誉成员：
ym23yjmaxpaynexirainbowwatermallice_rainstudy163minmin_0082003yllipro_junjieellsakingmazuju028zjuerstractorgzqdyouxiazhang668WDD880227y1ding
1143992/115首页上一页909192939495下一页
全部 热点前沿问题讨论 MS Vasp&MedeA Wien2k&FLAPW&ELK Abinit Siesta&Smeagol&Atk QE(Pwscf) 资源 其他 版务
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] 324求调剂 想上学求调 2026-04-04 刚刚
[Vasp&Me ] [已完结]split_dos分割以后，如何找到对应的原子？    ( 1 2 ) (11/1815) liufeila 2012-06-13 2012-06-14 11:01:46 by liufeila
[Vasp&Me ] [已完结]isosurface取多少合适 (1/455) xiaoboy185 2012-06-12 2012-06-13 15:06:01 by xiaoboy185
[Vasp&Me ] [已完结]vasp计算弹性常数时 体系的选取 (0/649) rex881026 2012-06-13 2012-06-13 14:03:13 by rex881026
[Vasp&Me ] [已完结]vasp中计算磁矩时初始磁矩的设置参数是哪些呀，对应的各种枚举    ( 1 2 ) (10/3580) zhilanga 2012-04-16 2012-06-13 10:30:11 by mengfc
[Vasp&Me ] [已完结]dos与磁性的关系 (4/1057) icyhong 2012-06-08 2012-06-12 20:37:50 by mengfc
[Vasp&Me ] 结合能和形成能 (8/3313) kmw.8668 2011-05-19 2012-06-12 07:27:09 by kmw.8668
[Vasp&Me ] [已完结]原子 没有的轨道 在DOS里面 ？？？ (0/209) xiaoluoj 2012-06-11 2012-06-11 16:04:37 by xiaoluoj
[Vasp&Me ] [已完结]supercell 中缺陷的位置对于结果有没有影响 (1/472) xiaoluoj 2012-06-11 2012-06-11 14:55:39 by mousekingadv
[Vasp&Me ] 关于电场的影响（3） (1/757) cavediger 2012-06-10 2012-06-11 13:41:26 by xiaokehlj
[Vasp&Me ] LORBIT=12时，DOSCAR中数据给出的顺序 (4/1506) byin 2012-06-10 2012-06-11 12:56:11 by cavediger
[Vasp&Me ] [已完结]态密度图分析求助 (3/2120) 人生果 2012-06-09 2012-06-11 11:06:27 by zhoudayan2
[Vasp&Me ] 求TiO2的cif文件 (3/1742) ApolloYang 2012-06-08 2012-06-11 10:20:43 by ApolloYang
[Vasp&Me ] vasp 警告 (4/1343) 171713294 2012-06-10 2012-06-11 09:20:45 by 171713294
[Vasp&Me ] [已完结]有人做过么? (0/209) 上官上官 2012-06-10 2012-06-10 18:00:32 by 上官上官
[Vasp&Me ] 【求助】ELF计算应该采用自洽的还是非自洽？ (2/1888) peng.029 2010-09-17 2012-06-10 17:01:00 by youzhizhe
[Vasp&Me ] band和DOS该用哪个费米能级 (3/1832) byin 2012-06-09 2012-06-10 10:01:40 by hn19870519
[Vasp&Me ] [已完结]求表面能，沿着Z方向驰豫，为啥X方向上的TOTAL-FORCE从开始都是0 (4/878) c03185 2012-06-05 2012-06-08 17:10:17 by c03185
[Vasp&Me ] [已完结]求Fe3O4的Fe（A）,Fe（B）和O原子磁矩的实验值 (1/1145) gougou531 2012-05-23 2012-06-08 09:20:23 by 344526558
[Vasp&Me ] procar分割出错 (1/407) gyj小果子 2012-06-07 2012-06-07 17:38:25 by cavediger
[Vasp&Me ] [已完结]vasp的弛豫 (2/320) lyylyy1 2012-06-05 2012-06-07 16:00:14 by sl6422431
[Vasp&Me ] [已完结]有没有关于金属氧化物上负载Fe2O3的文献？ (0/160) niuxiaoqi721 2012-06-07 2012-06-07 15:56:34 by niuxiaoqi721
[Vasp&Me ] [已完结]使用nebmake.pl这个脚本时遇到的问题 (1/494) xiongb123456 2012-06-07 2012-06-07 13:38:40 by vasp0000
[Vasp&Me ] [已完结]vasp分别在优化几何和计算能带时取的SIGMA不同 对得到的能带是否有影响？ (4/1395) stewart1922 2012-06-05 2012-06-07 13:25:37 by stewart1922
[Vasp&Me ] 有人算过表面电子结构吗？ (11/1630) nkleof 2011-06-02 2012-06-07 05:12:55 by 华南神兽
[Vasp&Me ] [已完结]ABINIT和VASP相比，计算GW，哪个更快啊？    ( 1 2 ) (13/2521) mazuju028 2012-05-28 2012-06-06 22:13:26 by dream意
[Vasp&Me ] [已完结]关于带电缺陷的超晶格修正计算 (2/524) Illusionist 2012-06-04 2012-06-06 21:29:02 by Mr_WuSH
[Vasp&Me ] [已完结]求缺陷形成能时结构可要优化？ (8/1910) 信任开花 2011-07-24 2012-06-06 14:26:13 by sunboyccc
[Vasp&Me ] [已完结]求vasp软件 (8/1262) charityqi 2012-05-20 2012-06-06 10:16:51 by qlm2008
[Vasp&Me ] [已完结]求高手分析一下这个电荷密度图 (2/821) xiaoluoj 2012-06-05 2012-06-06 10:02:19 by xiaoluoj
[Vasp&Me ] [已完结]请教表面吸附DOS计算中Ef很大于0后仍然不回0 (7/1507) 04nylxb 2012-05-30 2012-06-06 09:48:07 by 04nylxb
[Vasp&Me ] EDIFF同时控制电子步和离子步收敛标准，感觉有点不太合理啊... (1/1062) mousekingadv 2012-06-05 2012-06-06 09:36:55 by xiaoluoj
[Vasp&Me ] [已完结]一次型NiAl结构优化，晶格矢量变化非常大，求助~ (5/1660) luluste 2012-06-05 2012-06-06 08:23:25 by luluste
[Vasp&Me ] 【求助】 32位的VASP 程序，带LIC 50 金币 (6/804) 静待花开重新起� 2010-08-29 2012-06-06 07:10:46 by qlm2008
[Vasp&Me ] 离子步收敛的判据 (0/648) xiaoluoj 2012-06-05 2012-06-05 22:32:29 by xiaoluoj
[Vasp&Me ] [已完结]这个情况是怎么回事啊？ (4/1425) 萱草琳 2012-03-26 2012-06-05 17:32:48 by qiqi2926
[Vasp&Me ] [已完结]vasp优化收敛标准 (3/849) gjh123 2012-03-25 2012-06-05 17:30:58 by qiqi2926
[Vasp&Me ] 【求助】断电后vasp是否可以继续运算 (9/3407) 小木虫于 2010-06-16 2012-06-05 17:28:14 by qiqi2926
[Vasp&Me ] [已完结]VESTA图像 (2/509) xiaoluoj 2012-06-05 2012-06-05 13:59:30 by fzx2008
[Vasp&Me ] [已完结]vasp (2/289) fjfuzhou 2012-06-04 2012-06-04 21:57:41 by fjfuzhou
[Vasp&Me ] [已完结]最复杂情况下的参数优化    ( 1 2 ) (1ST强帖+2)(11/2524) navyzhang 2011-05-25 2012-06-04 17:50:30 by shelay
[Vasp&Me ] [已完结][关贴]TiO2掺杂计算的文章，应该投哪个SCI比较好接受？    ( 1 2 ) (10/1547) 初学者vasp 2012-06-02 2012-06-04 12:40:13 by swzhangxd
[Vasp&Me ] 表面计算问题请教 (2/962) 上官上官 2012-06-01 2012-06-04 11:25:24 by 武明义郑大
[Vasp&Me ] [已完结]SnO2载流子 (0/448) dfy50 2012-06-04 2012-06-04 11:10:27 by dfy50
[Vasp&Me ] [已完结]VASP计算的能量居然是正的，大家来看看    ( 1 2 ) (10/4832) guodonglin 2012-06-01 2012-06-04 08:32:11 by llilanlanabc
[Vasp&Me ] [已完结]vasp (0/163) fjfuzhou 2012-06-03 2012-06-03 10:13:34 by fjfuzhou
[Vasp&Me ] vasp52中的新计算方法与相关理论：杂化泛函与准粒子近似    ( 1 2 ) (11/3172) ApolloYang 2012-04-17 2012-06-02 14:35:00 by fuzhm
[Vasp&Me ] 理想拉伸强度计算    ( 1 2 ) (10/4471) mxiangying 2012-06-01 2012-06-02 13:45:12 by mxiangying
[Vasp&Me ] [已完结]体的能带计算和面的能带计算，特殊K点有什么区别？ (4/1661) c03185 2012-04-02 2012-06-01 12:11:35 by yxz476440843
[Vasp&Me ] [已完结]POSCAR (5/836) liuqun 2012-05-31 2012-06-01 09:45:01 by cenwanglai
[Vasp&Me ] [已完结]单机多核一个cpu的串行并行求助    ( 1 2 3 ) (26/2497) zytcv 2012-05-23 2012-05-31 23:50:54 by huangguiyang
[Vasp&Me ] [已完结]如何根据能带和态密度图分析磁性 (2/1870) 爱玩辅助的亚瑟 2012-05-30 2012-05-31 22:10:39 by mousekingadv
[Vasp&Me ] [已完结]求三角晶系布里渊区高对称点表示 (5/2484) wbt11129 2012-05-30 2012-05-31 20:16:45 by wbt11129
[Vasp&Me ] 用Dmol优化收敛的结构，用vasp不收敛？ (9/2622) llilanlanabc 2012-03-26 2012-05-31 19:24:34 by huangguiyang
[Vasp&Me ] [已完结]Tetragonal, Trigonal path, Hexagonal paths (0/254) swx0789 2012-05-30 2012-05-30 22:46:50 by swx0789
[Vasp&Me ] [已完结]VASP 计算DOS，态密度中费米能的作用 (3/3092) fangyongxinxi 2012-05-13 2012-05-30 19:49:37 by fangyongxinxi
[Vasp&Me ] [已完结]neb结果分析中遇到的问题 (3/1519) xiongb123456 2012-05-28 2012-05-30 18:51:25 by zhangfan2192
[Vasp&Me ] [已完结]vasp 是否适合研究放射性金属表面 (4/833) dingniu2 2012-05-28 2012-05-30 12:24:51 by souledge
[Vasp&Me ] [已完结]POSCAR中的atom numbers 这一项是怎么算的？ (4/695) bill686433 2012-05-29 2012-05-30 12:16:31 by bill686433
[Vasp&Me ] [已完结]掺杂磁性原子计算结果和实验结果不符 (3/567) lizeqian 2012-05-28 2012-05-30 10:52:33 by uuv2010
[Vasp&Me ] [已完结]KPOINTS对Fermi能级的影响 (2/537) enola 2012-05-30 2012-05-30 09:49:54 by enola
[Vasp&Me ] [已完结]带点缺陷，very serious problems (1/1194) xiaoluoj 2012-05-29 2012-05-29 23:09:20 by uuv2010
[Vasp&Me ] 【求助】ＶＡＳＰ如何计算　离子　    ( 1 2 ) (10/5358) 13611936804 2010-03-31 2012-05-29 19:12:50 by xx4751
[Vasp&Me ] [已完结]OSZICAR最后一行参数意义？ (1/677) redsnowolf 2012-05-28 2012-05-29 09:31:57 by redsnowolf
[Vasp&Me ] [已完结]hse06出错 (2/3261) 江山2010 2012-05-28 2012-05-29 09:07:14 by liliangfang
[Vasp&Me ] 我对VASP中outcar文件的一点感觉 (8/1829) casjxm 2012-05-28 2012-05-28 17:14:52 by wanghouyuan
[Vasp&Me ] [已完结]HSE 计算与semi-local计算能量相差很大 (2/504) enola 2012-05-28 2012-05-28 16:43:44 by enola
[Vasp&Me ] [已完结]如何将CONTCAR转化为在MS中可视化 (5/1913) xiaoluoj 2012-05-25 2012-05-28 10:27:28 by fanchen021
[Vasp&Me ] [已完结]求助VASP怎么知道运行是不是对的 (2/562) xx4751 2012-05-27 2012-05-27 20:53:38 by xx4751
[Vasp&Me ] 【求助】vasp优化团簇出错 求Pd的INCAR文件    ( 1 2 3 ) (21/1892) piaoxue001 2010-09-16 2012-05-27 09:11:11 by shzhu
[Vasp&Me ] HF计算请教 (3/1521) mxiangying 2012-05-15 2012-05-26 18:31:06 by mousekingadv
[Vasp&Me ] [已完结]请教ELF的意义 (1/987) cyjlu 2012-05-25 2012-05-26 10:07:00 by xueht987
[Vasp&Me ] [已完结]哪些体系需要使用GGA+U (1/602) 阚敏 2012-05-25 2012-05-25 15:20:12 by fzx2008
[Vasp&Me ] [已完结]请问VASP5.2中如何设置INCAR才可以计算（gamma点的）phonon frequency？    ( 1 2 ) (17/2543) donggaomin 2011-05-28 2012-05-25 12:05:31 by ufo991
[Vasp&Me ] [已完结]关于HSE06计算能带时手写K点的问题 (1/1842) stewart1922 2012-05-23 2012-05-25 10:20:22 by xueht987
[Vasp&Me ] [已完结]请教用vasp做过渡态的机器配置 (5/826) lgxyz 2012-05-23 2012-05-25 07:33:51 by kjsun
[Vasp&Me ] [已完结]由优化后的POSCAR建模问题 (2/1151) 人生果 2012-05-24 2012-05-24 22:00:44 by xueht987
[Vasp&Me ] [已完结]第一性原理学习 (1/456) cresando 2012-05-23 2012-05-24 09:16:45 by xueht987
[Vasp&Me ] [已完结]VASP计算过渡态的文献 (6/1166) liuqun 2012-05-23 2012-05-24 01:02:46 by xiongb123456
[Vasp&Me ] [已完结]用gk产生k点怎么总是会多几行k点是0的点啊 (0/225) lyylyy1 2012-05-23 2012-05-23 19:44:58 by lyylyy1
[Vasp&Me ] [已完结]六方相Mg2Ni比立方相Mg2Ni好的地方 (1/493) 明月李 2012-05-17 2012-05-22 17:12:05 by yuwenxianglong
[Vasp&Me ] [已完结]NEB 结果分析    ( 1 2 ) (12/1552) egogg 2012-05-15 2012-05-22 14:57:42 by wenyan0517
[Vasp&Me ] [已完结]求半导体缺陷能级的计算 (0/779) liyan1132 2012-05-22 2012-05-22 09:59:08 by liyan1132
[Vasp&Me ] 表面计算 (3/373) 上官上官 2012-05-21 2012-05-21 23:08:31 by 贺仪
[Vasp&Me ] [已完结]nebconverge.pl应该产生什么文件 (1/806) yk2425 2012-05-21 2012-05-21 17:03:42 by wenyan0517
[Vasp&Me ] 有人用vasp4.6算对过berry phase极化么 (1/325) byin 2012-05-20 2012-05-21 11:19:26 by iamikaruk
[Vasp&Me ] [已完结]关于Hubbard U的计算 (0/1831) lizeqian 2012-05-21 2012-05-21 10:28:14 by lizeqian
[Vasp&Me ] [已完结]LORBIT = 12在什么时候加 (3/1928) liuqun 2012-05-18 2012-05-21 09:02:22 by shilonglee
[Vasp&Me ] [已完结]考虑自旋的BN sheet 的能带计算 (5/1373) youzhizhe 2011-04-22 2012-05-20 07:23:56 by liangpei
[Vasp&Me ] 在武汉，本人可带笔记本上门，求人有偿安装VASP (17/2181) shjzhang7076 2012-05-17 2012-05-19 23:51:41 by shjzhang7076
[Vasp&Me ] [已完结]求助VASP结果画PDOS (2/542) jixiao0526 2012-05-18 2012-05-19 22:19:59 by jixiao0526
[Vasp&Me ] [已完结]VASP安装最后出现问题 (2/499) bill686433 2012-05-18 2012-05-19 21:36:40 by bill686433
[Vasp&Me ] VASP如何购买便宜？ (1/460) c03185 2012-05-17 2012-05-19 20:56:42 by lindlar0078
[Vasp&Me ] [已完结]GW计算的错误提示【问题已解决】 (4/1205) ApolloYang 2012-03-21 2012-05-19 15:58:05 by ApolloYang
[Vasp&Me ] 求助求助 (9/1135) 上官上官 2012-05-13 2012-05-18 18:13:24 by liliangfang
[Vasp&Me ] [已完结]vaspkit能在集群下运行吗？ (2/804) cos60 2012-05-18 2012-05-18 16:12:28 by guodonglin
[Vasp&Me ] [已完结]怎么画某一态的电荷密度 (2/397) lyylyy1 2012-05-17 2012-05-18 15:14:24 by lyylyy1
[Vasp&Me ] [已完结]求能使VASP输出文件中的能带和电荷密度转化到图形的软件 (3/1019) lijuanshu 2012-05-17 2012-05-18 11:03:29 by liu108
[Vasp&Me ] [已完结]MedeA如何多节点并行计算 (4/1297) juchen 2011-11-05 2012-05-18 05:14:31 by aibude163
[Vasp&Me ] [已完结]external pressure 不等于 0？ (2/1234) dyc_2008 2012-05-17 2012-05-17 21:46:07 by dxcharlary
[Vasp&Me ] [已完结]用murn拟合状态方程，不同的K点密度，得出的体积V不同？ (1/470) dyc_2008 2012-05-17 2012-05-17 20:49:03 by dxf_dxf_dxf
1143992/115首页上一页909192939495下一页
相关版块跳转
查看