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[热点] 售SCI一区T0P文章，我:8.O55.1.O.54,科目全,可十急 zSbvVX9JFl9J 2026-11-15 刚刚
[Vasp&Me ] [已完结]ZnO(10-10)面在MS里怎么截？ (3/839) wangjiajun 2013-03-04 2013-03-09 18:12:30 by QuenZ
[Vasp&Me ] [已完结]VASP报错：mpirun was unable to cleanly terminate the daemons for this job. (0/352) wangjb401 2013-03-09 2013-03-09 10:52:16 by wangjb401
[Vasp&Me ] [已完结]能带计算 (4/824) lizhiyi1017 2013-03-05 2013-03-08 20:09:06 by wyshdoc
[Vasp&Me ] [已完结]AIX系统编译介绍及VASP编译 (5/1681) wangz00 2013-03-05 2013-03-08 13:39:00 by chenxin1992
[Vasp&Me ] [已完结]VASP 自洽中遇到的问题，求高手帮忙 (6/2023) 苦行客 2013-03-07 2013-03-08 12:06:00 by 苦行客
[Vasp&Me ] VASP计算“+U”方法 (35/5661) aibude163 2012-10-13 2013-03-07 15:46:56 by 707462558
[Vasp&Me ] [已完结]建立一个Na分子的模型，两个Na的距离是3.582，怎样建立？ (2/292) zhlhhc 2013-03-04 2013-03-07 14:02:49 by zhlhhc
[Vasp&Me ] [已完结]菜鸟级问题，如果计算能态密度。 (4/772) llllllllllll 2013-03-05 2013-03-07 13:41:41 by yinhanqing
[Vasp&Me ] [已完结]DMOl3计算过渡态，得出的图初始结构的能量比最终能量高 (5/2362) 梦里花 2013-03-04 2013-03-07 10:31:42 by Joannaouc
[Vasp&Me ] [已完结]看不懂审稿意见 请教！ (7/1661) xylv0929 2013-02-27 2013-03-07 09:26:45 by xylv0929
[Vasp&Me ] [已完结]origin作图问题 求教各位大侠 (8/1286) lzlgcdc 2012-12-20 2013-03-06 17:27:21 by lizhiyi1017
[Vasp&Me ] [已完结]VASP并行计算失败，菜鸟求助！ (0/403) 舞昂琦VoVo 2013-03-06 2013-03-06 11:07:33 by 舞昂琦VoVo
[Vasp&Me ] [已完结]关于静态计算和画DOS图的一些问题。 (3/962) sunflower_12 2013-03-05 2013-03-06 09:45:11 by sunflower_12
[Vasp&Me ] [已完结]求教NRAR的问题 (6/969) lzlgcdc 2013-02-27 2013-03-05 11:25:12 by lzlgcdc
[Vasp&Me ] 提交作业遇到问题，请各位赐教 (3/499) anewtry 2013-03-02 2013-03-05 10:27:52 by likai0106
[Vasp&Me ] [已完结]P4V中如何测量晶格常数和角度 (0/460) 贝芷苡 2013-03-05 2013-03-05 10:27:47 by 贝芷苡
[Vasp&Me ] [已完结]同样的WAVRE，不同的CHGCAR？？？ (2/432) xiaoluoj 2012-06-20 2013-03-05 08:02:11 by 171713294
[Vasp&Me ] 【求助】WARNING: grid for Broyden might be to small (3/1916) Me卓 2011-03-15 2013-03-05 07:54:25 by 171713294
[Vasp&Me ] 有关ZnO,GaN磁性计算的问题 (20/2043) yangbs2009 2013-03-02 2013-03-04 15:46:21 by yangbs2009
[Vasp&Me ] [已完结]vasp5.2光学计算中怎么加入scissor operation?    ( 1 2 ) (1ST强帖+1)(13/4998) mazuju028 2011-11-17 2013-03-04 14:36:22 by 707462558
[Vasp&Me ] [已完结]我们用VASP计算材料的力学性能，是绝对零度的。有意义吗？正解者有红花相送哦 (8/4640) dyc_2008 2011-12-08 2013-03-04 14:16:34 by 真情无价108
[Vasp&Me ] [已完结]WARING：grid for Broyden might be to small (2/607) dongdong33 2013-03-04 2013-03-04 11:42:11 by dongdong33
[Vasp&Me ] [已完结]vasp计算中的磁性问题 (2/1760) mingtao 2013-02-21 2013-03-04 05:11:39 by mingtao
[Vasp&Me ] [已完结]如何判断两个结构之间的能量势垒与结构稳定性之间的关系 (4/2186) 梦里花 2013-02-28 2013-03-03 22:22:43 by 梦里花
[Vasp&Me ] [已完结]如果用vasp 实现自旋轨道耦合呢？ (1/728) 真情无价108 2013-03-03 2013-03-03 21:59:21 by chinagoodnes
[Vasp&Me ] [已完结]正版VASP软件大概得多少钱 (5/7065) yangyangwlhx 2013-03-01 2013-03-02 18:19:20 by wuli8
[Vasp&Me ] 用第一性原理计算液体可行吗？ (19/2705) byin 2013-02-18 2013-03-02 14:45:32 by Lathander
[Vasp&Me ] [已完结]初学者请教一些有关理论化学的问题 跪求 (2/786) yangyangwlhx 2013-01-22 2013-03-01 21:46:58 by yangyangwlhx
[Vasp&Me ] [已完结]谁能给我一个NiO的AFM构型POSCAR？急用 (2/454) 西山一 2013-02-25 2013-03-01 20:29:52 by 西山一
[Vasp&Me ] [已完结]谁能帮我分析下两幅电荷密度图的键能变化 (1/562) didadida321 2013-02-28 2013-03-01 08:34:17 by didadida321
[Vasp&Me ] [已完结]vasp优化时候提示了错误 (2/361) lzlgcdc 2013-02-23 2013-02-28 17:16:30 by lzlgcdc
[Vasp&Me ] [已完结]有关4个磁性原子的铁磁反铁磁计算 (2/561) hmin66 2013-02-26 2013-02-28 12:05:30 by hmin66
[Vasp&Me ] [已完结]如何用VASP 计算团簇的偶极矩 (0/1362) damao4361556 2013-02-28 2013-02-28 09:04:40 by damao4361556
[Vasp&Me ] 【求助】表面能的计算：几层薄膜最稳定？ (7/3274) liancsh 2011-03-21 2013-02-28 08:19:08 by chuanghua304
[Vasp&Me ] [已完结]优化的时候，NPAR=4出现警告 (1/1854) 707462558 2013-02-27 2013-02-27 18:40:11 by llh2010
[Vasp&Me ] [已完结]并行问题疑问 (2/422) lzlgcdc 2013-02-27 2013-02-27 18:29:52 by llh2010
[Vasp&Me ] [已完结]缺陷能级对载流子的俘获 (0/694) xiaoluoj 2013-02-27 2013-02-27 14:47:03 by xiaoluoj
[Vasp&Me ] [已完结]ms的计算和vasp的计算没有可比性吗 (8/2774) 707462558 2013-02-23 2013-02-25 15:22:51 by 707462558
[Vasp&Me ] 吉布斯自由能 or 亥姆霍兹自由能? (9/3985) enrity 2013-01-10 2013-02-25 09:02:50 by todiness
[Vasp&Me ] [已完结]关于vasp的一些称呼 (4/759) yangfeng513 2013-02-22 2013-02-23 21:19:39 by yangfeng513
[Vasp&Me ] [已完结]DFT-D2方法计算低覆盖度下的吸附结果可用吗？ (3/821) rainxin2008 2013-02-18 2013-02-23 12:30:42 by xyzzz986
[Vasp&Me ] 最新版本的VASP（VASP.5.3.3.18Dec2012）中dos.f有bug，请大家及时改正。 (评阅+5) (5/2149) 贺仪 2013-01-19 2013-02-23 11:35:07 by njdxllwl
[Vasp&Me ] [已完结]求助：极化强度的求法 (3/1069) sclong2004 2013-02-16 2013-02-22 23:52:19 by 阚敏
[Vasp&Me ] [已完结]vasp 安装成功 运行出错（详见内容） (3/1374) zhengjifine 2013-02-20 2013-02-22 10:21:03 by llh2010
[Vasp&Me ] [已完结]elk中的状态方程拟合工具eos的能量单位 (0/832) yuyu8602 2013-02-20 2013-02-20 13:09:26 by yuyu8602
[Vasp&Me ] [已完结]画出波函数的模方 (3/1651) liutaifeng 2013-01-24 2013-02-13 07:55:15 by hakuna
[Vasp&Me ] [已完结]关于体系里原子的移动问题 (9/1772) abel_zhao 2013-01-30 2013-02-13 05:43:51 by umklapp
[Vasp&Me ] 【求助】GW-band structure calculation，Kpoints怎么写 (7/1823) seek269 2011-04-06 2013-02-06 13:21:14 by mika
[Vasp&Me ] [已完结]计算的DOSCAR中怎么还有负的态密度啊？ (3/1146) Gina88 2013-02-05 2013-02-06 10:41:11 by Gina88
[Vasp&Me ] How to continue the calculation with IBRION=6（转） (评阅+5) (8/6992) wuli8 2013-02-02 2013-02-05 16:07:57 by wuli8
[Vasp&Me ] [已完结]job的状态是dr (1/865) abel_zhao 2013-02-04 2013-02-05 10:32:46 by abel_zhao
[Vasp&Me ] [已完结]Connection closed by foreign host是怎么了 (0/9800) 707462558 2013-02-01 2013-02-01 21:17:27 by 707462558
[Vasp&Me ] [已完结]（BiFeO3）GGA和LDA算出来的V0都比实验值小约10~20个立方埃？请各位高手帮我检查一下    ( 1 2 3 ) (27/4171) donggaomin 2011-05-16 2013-02-01 10:22:59 by future_wl
[Vasp&Me ] [已完结]VASP 5.2.2INCAR中的LEPSILON问题 (3/1906) 刘仕晨 2013-01-30 2013-01-31 14:43:32 by future_wl
[Vasp&Me ] [已完结]关于vasp计算团簇的选取晶胞的问题 (8/1667) jimuchun 2013-01-26 2013-01-30 09:15:54 by jimuchun
[Vasp&Me ] [已完结]DFT计算时如何模拟金属离子？ (1/1039) hw45888792 2013-01-29 2013-01-30 03:32:46 by huxiao.gl
[Vasp&Me ] [已完结]红外光谱计算原理 (2/2295) cenwanglai 2013-01-27 2013-01-29 12:59:09 by 王致远
[Vasp&Me ] vasp 扫面静电势（electrostatic potential）线 (1/1972) gyldmy 2012-07-19 2013-01-29 12:53:33 by highpeter
[Vasp&Me ] 【求助】ZBRENT: fatal internal in brackting system-shutdown; contact gK immediat    ( 1 2 ) (12/3675) calos818 2010-06-25 2013-01-29 11:36:35 by xiaoluoj
[Vasp&Me ] [已完结]VASP 计算能带出错，请高手过来帮忙！ (3/3105) xiehui0608 2012-12-19 2013-01-27 17:26:05 by liliangfang
[Vasp&Me ] [已完结]OSZICAR中数据显示电子自洽和离子弛豫收敛标准都已经达到，为何OUTCAR还在继续算？？ (5/2714) dfjk-123 2013-01-24 2013-01-27 03:09:10 by 原来是梦8804
[Vasp&Me ] [已完结][关贴]power 7, AIX6.1系统VASP并行编译 (9/1869) wangz00 2013-01-17 2013-01-26 21:21:34 by wangz00
[Vasp&Me ] [已完结][关贴]求助过渡态搜索方法的一篇文献 (2/540) wangz00 2013-01-25 2013-01-26 09:04:27 by wangz00
[Vasp&Me ] 【其他】phonon 5.10 (5/963) hlshi 2010-09-10 2013-01-26 02:43:15 by ylli
[Vasp&Me ] [已完结]ERROR: while reading WAVECAR, header is corrupt怎么办 (0/831) 要坚强 2013-01-25 2013-01-25 20:59:58 by 要坚强
[Vasp&Me ] [已完结]帮忙看看这个提交任务的脚本有什么问题 (1/480) crante 2013-01-25 2013-01-25 20:02:52 by lchchl
[Vasp&Me ] [已完结]哪位用pathscale编译过vasp (0/183) 学员H1RkcJ 2013-01-25 2013-01-25 16:09:20 by zw_tju
[Vasp&Me ] [已完结]DFT方法算无d电子结构的带隙，效果怎么样？ (5/1384) 魔鬼中的天使 2013-01-19 2013-01-24 22:19:09 by 魔鬼中的天使
[Vasp&Me ] 声子谱中带都是两根并到一根了    ( 1 2 ) (12/2609) cailiaohq 2012-04-20 2013-01-24 22:00:26 by ylli
[Vasp&Me ] [已完结]【紧急求助】多原子晶体反铁磁计算，磁矩设置 (0/1235) hythen 2013-01-23 2013-01-23 17:40:21 by hythen
[Vasp&Me ] [已完结]有关势垒高度的一些问题 (1/653) xiaoluoj 2013-01-22 2013-01-23 10:17:00 by anlen0615
[Vasp&Me ] [已完结]表面计算态密度时，为什么费米能和静态计算时的费米能不同？ (1/539) 星愿9997 2013-01-22 2013-01-23 10:08:03 by 星愿9997
[Vasp&Me ] k点的测试 (7/2837) 轻轻飘过之 2013-01-22 2013-01-23 08:58:40 by k_now
[Vasp&Me ] [已完结]linux下怎么联网呀 (4/1122) 707462558 2013-01-21 2013-01-22 23:28:27 by lbbz323
[Vasp&Me ] [已完结]puTTY 怎么连接不到服务器呀 (1/423) 707462558 2013-01-22 2013-01-22 22:31:34 by 707462558
[Vasp&Me ] [已完结]VASP計算出?淼� number of electrons and magnetization 錯誤 (0/984) profya 2013-01-22 2013-01-22 19:52:07 by profya
[Vasp&Me ] [已完结]计算大体系时总崩溃 (8/1476) nkleof 2012-09-27 2013-01-21 18:28:02 by 西山一
[Vasp&Me ] VASP优化结构时，E0发生突变？ (17/2083) lijuanshu 2013-01-05 2013-01-21 12:02:25 by lijuanshu
[Vasp&Me ] [已完结]求解 (4/677) doneking 2013-01-19 2013-01-21 10:50:13 by future_wl
[Vasp&Me ] [已完结]求助：MedeA substituion search 中一个细节 (0/323) fangyongxinxi 2013-01-20 2013-01-20 22:22:04 by fangyongxinxi
[Vasp&Me ] [已完结]为什么我编译的vasp单核运行的时候占据3-4个核 (0/444) xmc212 2013-01-20 2013-01-20 17:05:47 by xmc212
[Vasp&Me ] [已完结]采用LDA+U计算SnO2的能带结构，U值越大，带隙越小？    ( 1 2 ) (10/3713) paopaotu326 2012-12-27 2013-01-20 11:11:25 by paopaotu326
[Vasp&Me ] [已完结]HfO2 能带计算求助 (8/2090) hlmemory 2012-11-09 2013-01-20 10:38:15 by hlmemory
[Vasp&Me ] [已完结]vasp杂化泛函算能带 (1/632) mika 2013-01-19 2013-01-20 10:36:33 by colinchen2
[Vasp&Me ] [已完结]VASP LMAXMIX 对磁性的影响 (1/2249) jidibinghumc 2013-01-10 2013-01-19 14:12:18 by Lathander
[Vasp&Me ] [已完结]VASP 结构优化 或者NEB计算 经常卡壳 (2/1161) emilyoyang 2013-01-14 2013-01-19 14:04:38 by Lathander
[Vasp&Me ] 用VASP算磁性质，铁磁时，MAGMOM是自己设置好呢还是采用默认值 (6/1781) anewtry 2013-01-14 2013-01-19 13:46:53 by Lathander
[Vasp&Me ] [已完结]差分电荷密度图的分析 (2/1492) 梦里花 2012-11-13 2013-01-19 00:27:20 by liufeila
[Vasp&Me ] [已完结]参杂后，晶格常数发生变化，那么计算出来的形成能准确吗 (5/1957) xiaoboy185 2013-01-17 2013-01-18 16:59:29 by xuefangyu09
[Vasp&Me ] [已完结]vasp 结构优化问题    ( 1 2 ) (14/3832) guodonglin 2011-12-19 2013-01-18 14:26:05 by 星愿9997
[Vasp&Me ] [已完结]电荷布局 (4/628) 707462558 2013-01-14 2013-01-18 10:07:44 by wentaosty
[Vasp&Me ] [已完结]计算光学性质的方法有几种呢？各有什么优缺点呢？ (1/1733) Gina88 2013-01-17 2013-01-18 00:36:07 by Gina88
[Vasp&Me ] [已完结]HSE方法做弛豫时参数如何设置    ( 1 2 ) (16/3572) sleep桉 2011-05-05 2013-01-17 18:12:08 by wuli8
[Vasp&Me ] [已完结]vasp计算静态出现错误！ (5/2547) haowenping 2011-07-18 2013-01-17 07:50:38 by future_wl
[Vasp&Me ] [已完结]ALGO怎么设置，看手册看糊涂了。 (0/5684) Gina88 2013-01-16 2013-01-16 17:00:20 by Gina88
[Vasp&Me ] [已完结]为什么我得不出手册上计算NaF极化的值呢？Berry phase (1/561) yayanoba 2013-01-16 2013-01-16 16:44:52 by yayanoba
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