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[热点] 免疫学博士有名额，速联系 VaccineDPI 2026-02-03 刚刚
[Vasp&Me ] [已完结]vasp安装运行问题 (2/447) xianglannihao 2011-08-19 2011-08-19 17:15:21 by liliangfang
[Vasp&Me ] [已完结][关贴]散金币求助：第一性原理软件能计算ZnO纳米带的力学性质吗？ (2/456) sheyanchao316 2011-08-18 2011-08-19 09:35:11 by buct2010
[Vasp&Me ] [已完结]vasp模拟小分子吸附，如何固定小分子自身的键长？ (9/2803) tfl03 2011-08-17 2011-08-18 23:58:34 by mirror27
[Vasp&Me ] [已完结]mpich2杀进程的问题 (4/1167) xrhinoceros 2011-08-15 2011-08-18 01:43:12 by xrhinoceros
[Vasp&Me ] [已完结][关贴]帮忙翻译Optical properties of UO2 and PuO2 (0/153) liliangfang 2011-08-17 2011-08-17 10:32:12 by liliangfang
[Vasp&Me ] VASP是不是可以设置OUTCAR的输出信息的详细程度 (8/1390) vodka 2011-08-16 2011-08-17 09:30:59 by liuchunlin
[Vasp&Me ] [已完结]请问在VASP里，自旋-轨道耦合应该怎么计算？ (0/622) byin 2011-08-16 2011-08-16 22:39:52 by byin
[Vasp&Me ] [已完结]vasp编译未成功 (7/1484) mazuju028 2011-08-10 2011-08-15 17:13:57 by dream意
[Vasp&Me ] [已完结]再请教关于vasp计算能带结构和DOS图对不上的原因 (0/641) stewart1922 2011-08-15 2011-08-15 15:31:32 by stewart1922
[Vasp&Me ] [已完结]结构优化时设定了其中一个方向不能优化，但结果原子坐标还是改变了，不知怎么办 (1/454) 信任开花 2011-08-14 2011-08-14 11:33:34 by uuv2010
[Vasp&Me ] [已完结]vasp计算求助？ (1/283) zhangdelin0000 2011-08-13 2011-08-14 11:19:32 by uuv2010
[Vasp&Me ] [已完结]对CHGCAR进行加减 (3/1077) 江山2010 2011-08-13 2011-08-14 10:59:09 by uuv2010
[Vasp&Me ] [已完结]费米能级位置？ (2/469) buddy006 2011-08-02 2011-08-13 23:24:49 by cenwanglai
[Vasp&Me ] [已完结]VASP分子动力学优化的INCAR如下，怎么CONTCAR和POSCAR没有什么变化啊？    ( 1 2 ) (13/4275) Gina88 2011-08-08 2011-08-13 23:18:55 by cenwanglai
[Vasp&Me ] [已完结]请问用Berry phase计算极化时，DIPOL怎么设置？ (4/3280) donggaomin 2011-07-31 2011-08-12 10:49:58 by liuhuimeiwoo
[Vasp&Me ] [已完结]vasp如何计算wagging mode的频率 (1/295) googledreams 2011-08-10 2011-08-12 10:19:26 by googledreams
[Vasp&Me ] [已完结]VASP中POSCAR参数获得方式 (7/2281) nicolemikeyi 2011-05-31 2011-08-11 18:58:19 by wuli8
[Vasp&Me ] [已完结]请教VESTA可否切表面？如2x2的Pt(111)面 (1/2161) 04nylxb 2011-08-10 2011-08-11 07:21:26 by googledreams
[Vasp&Me ] [已完结]有哪位高手使用xcrysden软件的么，求助。。。 (3/2042) sxjsn1 2011-08-09 2011-08-10 20:01:10 by sxjsn1
[Vasp&Me ] [已完结]vasp计算在进行静态计算时，出错。 (评阅+1) (3/2223) lsh1986914 2011-07-05 2011-08-09 15:05:39 by haowenping
[Vasp&Me ] [已完结]怎样计算transition level (2/1068) chuyong 2011-08-04 2011-08-05 09:54:56 by Yelong_Wu
[Vasp&Me ] [已完结]Si(001)表面的重构：哪位好心人帮忙下篇P.R.B和P.R.L的文章啊？【已完结】 (1/450) liancsh 2011-08-05 2011-08-05 00:36:48 by guohuazhong
[Vasp&Me ] 闪锌矿结构的GaN晶格参数是多少？ (5/1121) 215215 2011-08-01 2011-08-03 13:46:02 by 215215
[Vasp&Me ] 应该用哪个费米能的值？ (7/858) nkleof 2011-07-31 2011-08-02 18:26:08 by nkleof
[Vasp&Me ] VASP并行可执行包（含VASP Tool） (13/454) chemvasp 2011-07-13 2011-08-02 00:06:10 by dycding
[Vasp&Me ] [已完结]【求助成功】多种磁构型的计算的疑问 (5/1162) uuv2010 2011-07-31 2011-07-31 19:51:00 by bingmou
[Vasp&Me ] [已完结]VESTA能否只画晶胞中部分原子的电荷密度图 (2/4683) vaspstudy 2011-07-31 2011-07-31 17:43:47 by bingmou
[Vasp&Me ] [已完结]求助VASP能量问题 (1/290) jgq880125 2011-07-30 2011-07-31 10:48:17 by gaojunfeng83
[Vasp&Me ] 【求助】Berry Phase 计算问题 (1/479) whw19850730 2010-07-02 2011-07-31 09:26:24 by donggaomin
[Vasp&Me ] [已完结]新手学VASP，求一本比较容易入手的中文书 (2/497) 秦健萍 2011-07-11 2011-07-27 09:18:07 by wanglianli136
[Vasp&Me ] [已完结]求助vasp 算能带？？？？ (1/362) zhangdelin0000 2011-07-26 2011-07-27 08:48:27 by buct2010
[Vasp&Me ] 弹性常数计算 (12/1492) wujuying 2011-07-23 2011-07-26 21:37:19 by howberg
[Vasp&Me ] [关贴]slab模型中心层DOS    ( 1 2 ) (58/2857) nkleof 2011-07-24 2011-07-26 09:12:53 by bingmou
[Vasp&Me ] 【求助】请教NEB问题 (2/365) mzshchen 2011-01-15 2011-07-26 08:46:27 by bingmou
[Vasp&Me ] 【求助】关于bader的一个问题 (3/1052) fanjing_83 2010-11-22 2011-07-25 20:11:32 by dickli2008
[Vasp&Me ] [已完结]用vasp能计算内层电子缺失吗？ (6/875) 大瑶Alice 2011-07-20 2011-07-25 13:11:37 by 大瑶Alice
[Vasp&Me ] [已完结]用vasp计算态密度 (5/1833) gloomy2004 2011-07-17 2011-07-24 19:58:41 by lishengyjs
[Vasp&Me ] 【已解决】VASP自旋轨道耦合scf计算 (2/1232) zhang668 2010-11-30 2011-07-23 21:11:29 by dragonlong
[Vasp&Me ] 【求助】关于vasp态密度计算    ( 1 2 ) (10/2949) luohubin 2010-08-25 2011-07-22 16:21:55 by mengnan0501
[Vasp&Me ] [已完结]LDA+U问题 (6/490) LRCL 2011-07-19 2011-07-21 22:30:44 by mengnan0501
[Vasp&Me ] [已完结][关贴]关于SMASS的设置 (0/2704) gtssongchi 2011-07-21 2011-07-21 20:06:03 by gtssongchi
[Vasp&Me ] 运算vasp时出现提示‘OS*里没有东西输出是什么原因引起的? (3/966) tt-0-8 2011-07-13 2011-07-21 17:41:13 by dazao
[Vasp&Me ] [已完结]如何确定禁带外的态 (0/137) sleep桉 2011-07-21 2011-07-21 17:16:39 by sleep桉
[Vasp&Me ] [已完结]vasp5.2编译完成没有问题，但是在运行时出现killed by signal 11，请问是什么原因？ (4/1490) piaoxue001 2011-07-18 2011-07-20 19:06:25 by 贺仪
[Vasp&Me ] [已完结]静态计算 (8/1454) zxgxbh2008 2011-07-19 2011-07-20 16:44:24 by maomao7910
[Vasp&Me ] 求助：关于轨道杂化 (9/2569) klwang 2011-06-30 2011-07-20 10:37:53 by dujunhui
[Vasp&Me ] 【解决】vasp自旋轨道耦合版本计算共线磁矩和非磁合适吗 (5/1950) zhang668 2010-11-23 2011-07-20 08:35:31 by 贺仪
[Vasp&Me ] VASP北京交流会资料 (1/339) enola 2011-07-19 2011-07-19 13:06:17 by uuv2010
[Vasp&Me ] 失望 (评阅+1) (1ST强帖+1)(5/560) gloomy2004 2011-07-19 2011-07-19 10:14:22 by csfn
[Vasp&Me ] [已完结]单机并行编译vasp5.2完成，试用出错 (5/1352) gougou531 2011-07-15 2011-07-18 19:38:08 by dickli2008
[Vasp&Me ] 【求助】Vasp5.2中 "optic"这个命令的使用 (5/1781) taviya 2010-12-16 2011-07-18 19:23:34 by liliangfang
[Vasp&Me ] [已完结]vasp5.2并行编译出错 (金币≥10)(4/165) gougou531 2011-07-13 2011-07-18 17:17:40 by liliangfang
[Vasp&Me ] [已完结]求翻译 (2/301) jinzhulin000 2011-07-13 2011-07-18 14:19:50 by enola
[Vasp&Me ] 【求助】vasp并行安装mpich2的错误    ( 1 2 ) (10/3315) 夕阳西下 2010-11-10 2011-07-16 20:37:44 by souledge
[Vasp&Me ] 超晶胞能带图 (金币≥10)(2/113) ahu1221 2011-07-06 2011-07-15 14:51:34 by ahu1221
[Vasp&Me ] [已完结]vasp5.2 并行编译如何修改makefile (5/2363) gougou531 2011-07-14 2011-07-15 13:17:21 by souledge
[Vasp&Me ] [已完结]在计算完后在OUTCAR文件最后出现以下一个框框是什么意思 (9/2108) zxgxbh2008 2011-07-14 2011-07-15 12:58:08 by uuv2010
[Vasp&Me ] 【其他】收敛了程序还在跑 (19/1589) sunyang1988 2011-04-02 2011-07-15 08:40:00 by sunyang1988
[Vasp&Me ] [已完结]求VASP的PAW赝势生成软件 (5/1289) iamikaruk 2011-07-07 2011-07-14 18:51:47 by uuv2010
[Vasp&Me ] [已完结]表面吸附中Binding Energry怎么算 (3/503) zxgxbh2008 2011-07-13 2011-07-14 18:51:15 by zxgxbh2008
[Vasp&Me ] [已完结]求VASP4.6的编译文件_基于ifort编译器和atlas数学库    ( 1 2 ) (10/2119) 04nylxb 2011-07-08 2011-07-14 10:10:31 by souledge
[Vasp&Me ] [已完结]Nf是什么？如果看ELFCAR? (7/1077) gloomy2004 2011-07-13 2011-07-14 08:49:18 by gloomy2004
[Vasp&Me ] [已完结]沿SrTiO3的111面长的晶体的晶格常数如何确定 (金币≥1)(5/44) cc_l 2011-07-12 2011-07-13 15:39:22 by uuv2010
[Vasp&Me ] [已完结]同种原子不同化合价的设置 (4/1655) he23981006 2011-07-12 2011-07-13 12:55:41 by beyondstar
[Vasp&Me ] [已完结]vasp用菱方结构得到的BORN有效电荷矩阵和光学谱的方向问题 (5/1278) maomao7910 2011-07-12 2011-07-13 12:47:37 by iamikaruk
[Vasp&Me ] [已完结]怎么建nanocrystals (3/667) xiaoxiao136 2011-07-12 2011-07-13 10:32:20 by cavediger
[Vasp&Me ] 运行结果中出现一个小框是什么意思？ (0/281) tt-0-8 2011-07-13 2011-07-13 10:00:59 by tt-0-8
[Vasp&Me ] [已完结]紧急求助！！！！关于空位缺陷引起磁性的问题 (7/1526) liushaking 2011-05-01 2011-07-12 20:06:58 by mengnan0501
[Vasp&Me ] 运行vasp，输出文件没有OLDPOS是为什么？ (3/730) tt-0-8 2011-07-11 2011-07-12 12:34:48 by liuziran
[Vasp&Me ] [已完结]求Cu的PBE的POTCAR (0/278) xiaowu787 2011-07-11 2011-07-11 17:09:31 by xiaowu787
[Vasp&Me ] [已完结]如何将表面抗腐蚀性能和表面吸附的计算结果联系起来？ (6/1355) dazao 2011-06-14 2011-07-10 16:58:50 by dazao
[Vasp&Me ] [已完结]求p4vasp windows (2/479) yinliyuan 2011-07-09 2011-07-09 18:57:00 by youzhizhe
[Vasp&Me ] vasp运算中终止和恢复命令是什么？ (0/2559) tt-0-8 2011-07-09 2011-07-09 11:34:00 by tt-0-8
[Vasp&Me ] [已完结]C原子的dos分析 (金币≥1)(2/89) wujian198561 2011-07-08 2011-07-08 22:58:51 by wujian198561
[Vasp&Me ] 运行脚本总是权限不够是什么原因呢？    ( 1 2 ) (评阅+1) (12/2084) tt-0-8 2011-07-03 2011-07-07 18:48:44 by tt-0-8
[Vasp&Me ] [已完结]VASP计算不能提交到服务器 (6/1533) langren24 2011-06-15 2011-07-07 13:06:41 by 贺仪
[Vasp&Me ] [关贴]脚本运行 (2/335) tt-0-8 2011-07-05 2011-07-07 10:11:04 by tt-0-8
[Vasp&Me ] 【求助】功函数怎末计算啊？？？ (评阅-6) (7/1569) kmw.8668 2011-01-12 2011-07-07 05:48:10 by cavediger
[Vasp&Me ] 提示VERY BAD NEWS! ，但计算正常结束,什么原因？ (3/1650) xiaowu787 2011-07-06 2011-07-06 18:54:10 by xiaowu787
[Vasp&Me ] [已完结]关于vasp做b3lyp计算 (评阅+1) (1/1123) xiaoboy185 2011-07-06 2011-07-06 13:12:25 by maomao7910
[Vasp&Me ] [已完结]2个8核服务器并行运算 (4/1870) 胡同学 2011-06-06 2011-07-06 13:05:46 by youzhizhe
[Vasp&Me ] [已完结][关贴]VASP能带横坐标怎么画 (6/1694) 极速小木虫 2011-06-27 2011-07-04 13:50:36 by 贺仪
[Vasp&Me ] VASP计算过程中出错的原因及解决办法汇总 (评阅+2) (0/971) zxg_far 2011-07-04 2011-07-04 13:08:34 by zxg_far
[Vasp&Me ] 表面 (2/281) kmw.8668 2011-06-24 2011-07-04 10:20:39 by wei.ji
[Vasp&Me ] 【求助】求教化合物团簇悬挂键的饱和问题 (6/1326) jimuchun 2010-09-20 2011-07-03 09:48:12 by lixiao85
[Vasp&Me ] [已完结]声子谱计算中如何选高对称点？ (2/1919) 06022043 2011-06-29 2011-07-02 10:54:24 by 王雯雯
[Vasp&Me ] vasp.4与vasp.5运行Ni考虑自旋后PROCAR的occ不同 (评阅+1) (0/549) maomao7910 2011-07-01 2011-07-01 22:57:32 by maomao7910
[Vasp&Me ] VASP开发小组的Dr. Martijn Marsman行程追踪 (评阅+3) (2/712) lxmn 2011-06-29 2011-07-01 21:50:37 by uuv2010
[Vasp&Me ] Bader分析原子磁矩是什么原理？ (1/1170) cenwanglai 2011-06-22 2011-07-01 17:06:00 by huagai
[Vasp&Me ] 有人计算过压磁效应或者磁致伸缩效应吗？ (4/1570) byin 2011-06-22 2011-07-01 17:05:36 by huagai
[Vasp&Me ] [已完结]VASP，计算H离子吸附在TiO2的表面，发现吸附热过大 (3/1218) qkzh3091 2011-06-26 2011-07-01 15:03:39 by zyuea
[Vasp&Me ] [已完结]计算吸附能 (3/765) mzshchen 2011-06-29 2011-06-30 19:54:08 by liujuan8704
[Vasp&Me ] [已完结]固体热力学状态函数中的压强P指的是什么 ？ (3/1079) fangyongxinxi 2011-06-29 2011-06-29 16:25:39 by dxcharlary
[Vasp&Me ] [已完结]vasp workgroup 的回信附件 (5/1290) gmy1990 2011-05-16 2011-06-29 08:44:36 by 04nylxb
[Vasp&Me ] [已完结]Zn unitcell & Ga unitcell (1/346) apple3260 2011-06-24 2011-06-28 08:58:06 by hakuna
[Vasp&Me ] [已完结]态密度（DOS）图能提供反键信息吗？ (评阅+1) (金币≥50)(3/86) yuanleishi 2011-06-25 2011-06-27 19:03:44 by ioribest
[Vasp&Me ] [已完结]计算H+的吸附热 (0/603) 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？ (8/1535) 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 (2/735) hhshimin 2011-06-24 2011-06-26 14:12:34 by hhshimin
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