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[热点] 366求调剂 sbdnd 2026-04-04 刚刚
[Vasp&Me ] [已完结]计算H+的吸附热 (0/614) qkzh3091 2011-06-27 2011-06-27 17:02:58 by qkzh3091
[Vasp&Me ] [已完结]压电系数eij出现振荡，没有规律的原因？ (8/1611) donggaomin 2011-06-23 2011-06-26 23:00:23 by iamikaruk
[Vasp&Me ] [已完结]用vasp优化完的结构再用castep算声子 (2/746) hhshimin 2011-06-24 2011-06-26 14:12:34 by hhshimin
[Vasp&Me ] [已完结]用vasp时出现内存报错 (评阅+1) (4/2850) Ferrero1985 2011-06-25 2011-06-26 08:40:20 by guopengzhen
[Vasp&Me ] [已完结]slab上吸附分子后，真空能级left和right相差2eV！此时功函如何计算？ (4/1194) first_yg 2011-06-13 2011-06-25 18:52:10 by uuv2010
[Vasp&Me ] [已完结]在vaspview中画电荷密度等高线    ( 1 2 ) (12/2549) sxjsn1 2011-06-17 2011-06-24 16:11:09 by cavediger
[Vasp&Me ] [已完结]arbitrary isotropic pressure和ambient pressure有啥区别嘞？ (2/187) wangle_xq 2011-06-19 2011-06-24 11:15:53 by wangle_xq
[Vasp&Me ] [已完结]VASP编译通过，运行出现错误 (2/576) donghai 2011-06-23 2011-06-24 09:32:54 by cavediger
[Vasp&Me ] [已完结]计算自旋轨道耦合DOSCAR中数据意义    ( 1 2 ) (12/2588) sxjsn1 2011-06-19 2011-06-24 09:31:16 by sxjsn1
[Vasp&Me ] [已完结][关贴]求VASP势文件 (0/774) walker0 2011-06-24 2011-06-24 09:08:54 by walker0
[Vasp&Me ] [已完结]vasp计算Ag在graphene上的吸附能 (7/2163) mika 2011-06-18 2011-06-23 18:40:02 by valenhou001
[Vasp&Me ] [已完结]ENINI与ENCUT的区别 (0/282) thelrgbird 2011-06-23 2011-06-23 14:49:05 by thelrgbird
[Vasp&Me ] [已完结]有人用VASP中的HSE06泛函做过几何优化吗 (0/1005) ikea1984 2011-06-23 2011-06-23 14:39:27 by ikea1984
[Vasp&Me ] 如何控制内存需求 (12/2403) nkleof 2011-06-17 2011-06-22 17:08:10 by nkleof
[Vasp&Me ] [已完结]VASP计算反铁磁和铁磁态能量差高达1eV以上，是否可信？    ( 1 2 ) (10/2863) 梦境 2011-06-21 2011-06-21 18:33:17 by 梦境
[Vasp&Me ] [已完结]VASP 运行时出现以下错误,帮忙看下是那里出的问题. (2/733) guopengzhen 2011-06-21 2011-06-21 12:19:28 by hustgt
[Vasp&Me ] [已完结]POSCAR 确定空间群求助 (3/1284) 06022043 2011-06-19 2011-06-21 10:53:35 by chenweiguang
[Vasp&Me ] 第一性原理的出路 (8/1518) 胡同学 2011-06-19 2011-06-19 16:37:18 by 胡同学
[Vasp&Me ] [已完结]关于计算中的能量 (0/781) enola 2011-06-18 2011-06-18 16:19:58 by enola
[Vasp&Me ] [已完结]计算熔点 (3/738) xiaoboy185 2011-06-17 2011-06-18 09:54:36 by jsheng5059
[Vasp&Me ] 求助帖中图片 (0/879) sxjsn1 2011-06-17 2011-06-17 15:56:11 by sxjsn1
[Vasp&Me ] [已完结]当体系中包含两种材料时，如何用VASP计算其中一种材料的功函？    ( 1 2 ) (11/3004) first_yg 2011-06-11 2011-06-17 15:26:54 by windblue
[Vasp&Me ] [已完结]为什么我进行ENCUT测试时是这个样子的？问题出在哪里？ (8/1057) Gina88 2011-06-17 2011-06-17 11:18:17 by Gina88
[Vasp&Me ] [已完结]vasp NEB 如何选取原胞大小 ？    ( 1 2 ) (10/3006) fangyongxinxi 2011-06-15 2011-06-16 20:33:20 by fangyongxinxi
[Vasp&Me ] [已完结]晶格优化的问题，急急！！ (1/516) nicolemikeyi 2011-06-15 2011-06-15 16:21:04 by gtssongchi
[Vasp&Me ] [已完结]请问vasp后处理时，如何画晶体结构 (6/2002) byin 2011-06-11 2011-06-14 16:54:50 by zhang668
[Vasp&Me ] [已完结]vasp2cfg怎么用 (0/276) w76990480 2011-06-13 2011-06-13 19:50:53 by w76990480
[Vasp&Me ] 收敛标准 (6/1176) kmw.8668 2011-06-10 2011-06-13 17:30:57 by liuhuimeiwoo
[Vasp&Me ] [已完结]求 Atoms in Molecules-A Quantum Theory这本书，多谢 (1/418) jolin_123 2011-06-11 2011-06-13 17:21:24 by afool18
[Vasp&Me ] [已完结][关贴]bader charge怎么获得 (0/516) seek269 2011-06-13 2011-06-13 12:24:56 by seek269
[Vasp&Me ] [已完结]分子表面吸附 空间结构如何确定 (4/1760) fengangelo 2011-06-07 2011-06-13 12:10:14 by o58285880
[Vasp&Me ] [已完结]vasp磁性计算中如何得到原子spin-up和spin-down的电子数 (2/1783) maliangcai 2011-05-19 2011-06-13 10:14:40 by first_yg
[Vasp&Me ] [已完结]计算单个氢原子轨道电荷 (4/880) 胡同学 2011-06-08 2011-06-12 12:57:05 by 胡同学
[Vasp&Me ] [已完结]怎么才能将电荷密度不需要的让其不显示？ (3/847) fulin 2011-06-09 2011-06-12 09:20:17 by convenient
[Vasp&Me ] [已完结]关于优化过程的进一步询问。 (1/401) fangyongxinxi 2011-06-11 2011-06-11 14:20:34 by saikun
[Vasp&Me ] [已完结][关贴]求VASP或者WIEN2K软件 (5/1368) 飕风飙 2011-05-13 2011-06-11 10:01:59 by 天地精华
[Vasp&Me ] [已完结]VASP可以计算压力下晶体的结构吗？ (金币≥1)(9/194) 夕阳西下 2011-05-16 2011-06-10 20:00:00 by dxcharlary
[Vasp&Me ] [已完结]Vasp能算陶瓷的高温性能么，如果不行，什么软件能算？谢谢，越具体越好！ (7/1189) azhengren 2011-06-09 2011-06-10 15:32:55 by enola
[Vasp&Me ] [已完结]【求助】vasp编译的两个参数的含义 (0/330) uuv2010 2011-06-10 2011-06-10 11:33:50 by uuv2010
[Vasp&Me ] [已完结]求助： vasp中化合物势函数的选取。 (1ST强帖+1)(6/2012) fangyongxinxi 2011-05-28 2011-06-10 10:19:06 by 漂浮的萸
[Vasp&Me ] stoner instability/stoner criterion (2/1790) jolin_123 2011-06-08 2011-06-09 16:52:40 by identation
[Vasp&Me ] [已完结]H原子的位置 (1/472) zhuhuiping 2011-05-30 2011-06-09 14:27:15 by gfunction
[Vasp&Me ] 铁磁和反铁磁时磁矩有变化么？ (3/956) jolin_123 2011-06-07 2011-06-08 19:46:57 by wenjlu
[Vasp&Me ] [已完结]VASP的outcar里面有三个能量值，怎么选用啊？ (1/2175) dyc_2008 2011-06-08 2011-06-08 16:16:48 by 06022043
[Vasp&Me ] [已完结]请问 VASP中如何模拟催化剂表面H传递到溶液（水）去得过程？ 重谢！ (0/266) 13611936804 2011-06-08 2011-06-08 15:59:36 by 13611936804
[Vasp&Me ] [已完结][关贴]怎么进行表面重构 (0/1617) yhailing 2011-06-08 2011-06-08 14:31:19 by yhailing
[Vasp&Me ] 计算功函时，如何解决超胞大小对于费米能级的影响？ (0/506) first_yg 2011-06-08 2011-06-08 09:59:42 by first_yg
[Vasp&Me ] [已完结]ISMEAR 参数的一些困惑 (2/455) hn19870519 2011-06-07 2011-06-08 00:04:27 by ellsaking
[Vasp&Me ] [已完结][关贴]vasp做结构优化的时候怎样固定vacuum slab，即c轴长度？ (金币≥20)(4/186) spatial 2011-05-31 2011-06-06 22:22:38 by spatial
[Vasp&Me ] [已完结]vasp中如何构建超晶胞 (3/1732) fangyongxinxi 2011-06-06 2011-06-06 17:09:56 by qiqi2926
[Vasp&Me ] [已完结]散金20求：VASP中各种物理量的单位 (8/1593) dyc_2008 2011-06-03 2011-06-06 14:55:14 by dxcharlary
[Vasp&Me ] [已完结]求原子坐标 (金币≥66)(1/46) zhuhuiping 2011-06-05 2011-06-06 09:35:37 by zhaojy008
[Vasp&Me ] [已完结]vasp计算磁矩的困惑    ( 1 2 ) (10/3700) hn19870519 2011-06-02 2011-06-04 18:01:44 by 贺仪
[Vasp&Me ] [已完结]晶格优化 (2/482) wangla 2011-06-02 2011-06-04 10:01:10 by wangla
[Vasp&Me ] 【求助】vasp做表面结构    ( 1 2 ) (11/1766) chiqiong 2010-09-15 2011-06-04 09:07:12 by bnliu
[Vasp&Me ] [已完结]VASP能否计算波函数的宇称 (0/806) 伐木工 2011-06-03 2011-06-03 20:56:18 by 伐木工
[Vasp&Me ] [已完结]如何计算带电缺陷的问题 (金币≥10)(2/128) ahu1221 2011-06-03 2011-06-03 15:17:50 by ahu1221
[Vasp&Me ] [已完结]体系绝对能量的问题 (1ST强帖+1)(4/1456) 小木虫于 2011-05-30 2011-06-02 22:11:14 by first_yg
[Vasp&Me ] [已完结]LDA+U算法中唯独LDAUTYPE = 4算不了,啥原因? (6/1308) yq2240711 2011-05-31 2011-06-02 08:15:01 by yq2240711
[Vasp&Me ] [已完结]关于缺陷能级的学习 (2/987) peng.029 2011-05-31 2011-06-01 12:27:34 by enola
[Vasp&Me ] [已完结]求能量单位 (1/625) zhuhuiping 2011-05-31 2011-05-31 22:20:49 by 贺仪
[Vasp&Me ] [已完结]dos计算K点取值问题 (6/2508) 贺仪 2011-05-29 2011-05-31 18:39:29 by xiao72379
[Vasp&Me ] VASP的计算结果，都有哪些处理工具啊？ (7/2001) dyc_2008 2011-05-24 2011-05-31 17:39:32 by enola
[Vasp&Me ] [已完结]求一份lev00_3.22软件 (5/865) 学员CkImlJ 2011-05-31 2011-05-31 17:03:10 by youzhizhe
[Vasp&Me ] [已完结]求助：详细解释vasp势函数库中，各文件的含义。 (2/2466) fangyongxinxi 2011-05-30 2011-05-30 23:12:12 by fangyongxinxi
[Vasp&Me ] [已完结]求v2xsf和XCrysDen软件 (3/1312) sxjsn1 2011-05-30 2011-05-30 19:56:44 by dxcharlary
[Vasp&Me ] 讨论下轨道上电荷计算问题 (0/257) hakuna 2011-05-30 2011-05-30 18:28:25 by hakuna
[Vasp&Me ] 半导体带隙 (9/1861) tider 2011-05-26 2011-05-29 17:34:39 by tider
[Vasp&Me ] [已完结]求教：VASP如何加电场 (1/611) liuhuimeiwoo 2011-05-27 2011-05-29 15:45:50 by dwma
[Vasp&Me ] 【求助】关于费米能级 (13/4050) solarman 2011-05-27 2011-05-28 18:26:15 by tider
[Vasp&Me ] 【求助】vasp里如何进行frozen phonon计算（在下初学者） (2/512) fliablepig 2011-01-08 2011-05-28 18:01:44 by zhang668
[Vasp&Me ] [已完结]表面吸附    ( 1 2 3 4 5 ) (评阅-11) (1ST强帖+3)(47/1676) kmw.8668 2011-05-16 2011-05-28 13:40:21 by kmw.8668
[Vasp&Me ] [已完结]KPOINTS网格怎么写 (3/1532) zhuhuiping 2011-05-27 2011-05-28 13:38:29 by 贺仪
[Vasp&Me ] [已完结]求助：VASP能带计算与并行数目 (2/1161) Ferrero1985 2011-05-21 2011-05-27 16:08:02 by Ferrero1985
[Vasp&Me ] 关于吸附分子解离 (5/1485) kmw.8668 2011-05-22 2011-05-26 22:37:47 by goldenfisher
[Vasp&Me ] 【求助】有牛人做的vaspstudio，给的链接下不了，哪位虫友能再给传一份？ (8/1290) lugang911 2010-05-30 2011-05-26 20:22:26 by 贺仪
[Vasp&Me ] [已完结]VASP能算单个原子的DOS吗 (8/2268) first_yg 2011-05-05 2011-05-26 16:31:31 by ioribest
[Vasp&Me ] [已完结]用拟合的方法和用弹性常数的方法算体模量的误差问题 (2/981) heiyanse 2011-05-20 2011-05-26 14:58:48 by qiqi2926
[Vasp&Me ] [已完结]lev00处理后得到的免电荷密度数据是否还要除以cell的体积？ (3/727) dazao 2011-05-10 2011-05-26 14:57:15 by enola
[Vasp&Me ] [已完结]用vesta算原子间距离准确吗？ (9/3660) leo肖 2011-05-23 2011-05-25 20:54:22 by valenhou001
[Vasp&Me ] 能量 (3/548) kmw.8668 2011-05-24 2011-05-25 18:56:55 by kmw.8668
[Vasp&Me ] [已完结]L(s)DA+U如何设置 (6/1175) ustbwgs 2011-05-24 2011-05-25 15:28:54 by wusongz
[Vasp&Me ] [已完结]远程哥伦布相互作用力 (0/423) enola 2011-05-25 2011-05-25 09:38:53 by enola
[Vasp&Me ] 【求助】vasp算的键能与气相的不一样 (1/503) huangyc 2011-03-24 2011-05-24 20:20:50 by zsjan
[Vasp&Me ] 【求助】VASP中的GW方法能计算能带吗？ (5/1582) jsheng5059 2011-03-03 2011-05-24 11:51:41 by liuhuimeiwoo
[Vasp&Me ] 【求助】关于能带结构的GW修正 VASP (2/766) dfli1980 2010-07-12 2011-05-24 10:36:30 by yshl7237
[Vasp&Me ] [已完结]这些参数合适吗？    ( 1 2 ) (18/2105) 缺心眼桌 2011-05-21 2011-05-24 09:19:57 by lgxyz
[Vasp&Me ] [已完结]vasp的potentials下载问题 (2/471) tengh 2011-05-19 2011-05-24 08:38:09 by tengh
[Vasp&Me ] 有关VASP计算费米面的问题 (0/719) chanlar 2011-05-23 2011-05-23 22:39:07 by chanlar
[Vasp&Me ] 【求助结束】结构优化很离奇，请问可能是什么原因？--初始构型不合理 (18/3218) 缺心眼桌 2011-03-28 2011-05-23 16:11:33 by 缺心眼桌
[Vasp&Me ] rebuild_p4vasp for windows install.rar (评阅+1) (2/1261) oyljw 2011-05-18 2011-05-23 14:58:40 by cavediger
[Vasp&Me ] [已完结]离子态POTCAR文件 (0/194) wujing110 2011-05-23 2011-05-23 09:22:08 by wujing110
[Vasp&Me ] [已完结]要得到电荷差密度图一定要用lev00这个软件么 (5/1342) tider 2011-04-20 2011-05-22 16:42:18 by yufengjiayou
[Vasp&Me ] 虚频对应的坐标 (2/664) wanglei200 2011-05-22 2011-05-22 14:52:16 by cavediger
[Vasp&Me ] [已完结]参数优化 (2/684) 夕阳西下 2011-05-21 2011-05-22 13:54:06 by wanglei200
[Vasp&Me ] [已完结]有关反应焓？？ (金币≥10)(3/56) xbb421987 2011-05-20 2011-05-22 12:09:36 by cavediger
[Vasp&Me ] 关于俩物质的结构 (5/1190) kmw.8668 2011-05-20 2011-05-22 10:05:40 by hh19850402
[Vasp&Me ] [已完结]请教个英文翻译 ：frozen core approximation (2/782) ustbwgs 2011-05-20 2011-05-20 21:19:47 by ustbwgs
[Vasp&Me ] [已完结]静态计算的EDIFF对CHARGCAR影响大吗？ (2/405) buct2010 2011-05-20 2011-05-20 16:22:12 by buct2010
[Vasp&Me ] 【求助】表面体系DOS结果粗糙    ( 1 2 ) (11/1547) nkleof 2010-08-05 2011-05-20 16:19:29 by nkleof
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