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[热点] 2023 - Enabling Tools and Techniques for Organic Synthesis asymmsyn 2026-02-28 刚刚
[Vasp&Me ] [已完结]p4vasp安装问题 (2/938) longchang 2011-10-24 2011-10-27 08:46:58 by longchang
[Vasp&Me ] [已完结]初学VASP的几点疑问 (0/489) gtolv8688 2011-10-26 2011-10-26 14:11:55 by gtolv8688
[Vasp&Me ] [已完结]如何用VASP计算体系中每一类原子的DOS？    ( 1 2 ) (10/2395) 韩D小希 2011-09-13 2011-10-26 14:09:54 by likai0106
[Vasp&Me ] [已完结]由能带图求电子有效质量 (1/1513) 小豆sumy 2011-10-26 2011-10-26 13:25:05 by 贺仪
[Vasp&Me ] [已完结]表面 吸附计算DOS的问题 (0/602) zxgxbh2008 2011-10-26 2011-10-26 10:50:12 by zxgxbh2008
[Vasp&Me ] [已完结]掺杂以后体系能量升高了，体系是否不稳定啊？ (3/912) gougou531 2011-10-26 2011-10-26 10:32:28 by cell
[Vasp&Me ] [已完结]VASP计算：LORBIT设置出现问题 (5/2416) gougou531 2011-09-28 2011-10-26 10:13:09 by cenwanglai
[Vasp&Me ] [已完结]编译vasp缺少-lcblas (5/1065) panjinbo87 2011-10-21 2011-10-25 19:03:43 by hnuzhoulin
[Vasp&Me ] [关贴]vasp5.2中用HSE和GW怎么计算态密度dos阿？ (0/670) zhuzx 2011-10-25 2011-10-25 10:51:24 by zhuzx
[Vasp&Me ] vasp运行被强制终止是什么原因引起的？ (7/2132) tt-0-8 2011-10-14 2011-10-24 23:35:51 by liuds7792
[Vasp&Me ] [已完结]VASP 磁性BerryPhase计算问题（Berryphase异常大） (3/1518) zhang668 2011-10-24 2011-10-24 20:25:49 by liuhuimeiwoo
[Vasp&Me ] [已完结]VASP计算结果出来后，怎样得到结合能和生成焓？ (4/4182) dyc_2008 2011-10-13 2011-10-24 18:30:02 by encke
[Vasp&Me ] [已完结]vasp NEB INCAR文件修改求助 (1/974) fangyongxinxi 2011-10-24 2011-10-24 14:59:27 by hakuna
[Vasp&Me ] 运行VASP的一段程序大家看看是哪里的问题 (0/154) qshine0210 2011-10-24 2011-10-24 12:42:26 by qshine0210
[Vasp&Me ] [已完结]怎样看懂电荷密度图？ (0/758) dyc_2008 2011-10-24 2011-10-24 11:07:16 by dyc_2008
[Vasp&Me ] [已完结]能带计算中K点设置问题 (3/1439) zxgxbh2008 2011-10-22 2011-10-23 09:53:16 by hezhu
[Vasp&Me ] 请问NMAG是什么？ (2/1220) Tea_Candy 2011-08-28 2011-10-22 23:22:00 by uuv2010
[Vasp&Me ] [已完结]计算过渡族原子基态能量 (0/229) 小木虫于 2011-10-22 2011-10-22 21:05:44 by 小木虫于
[Vasp&Me ] [已完结]能带结构呈锯齿形，是怎么回事？    ( 1 2 ) (17/2608) Gina88 2011-10-19 2011-10-22 17:02:38 by Gina88
[Vasp&Me ] [已完结]vasp并行测试时出错。 (7/1860) panjinbo87 2011-10-03 2011-10-21 20:34:33 by hnuzhoulin
[Vasp&Me ] [已完结]一维结构静态计算的EIGINVAL可以直接看成能带结构吗？ (0/401) Gina88 2011-10-21 2011-10-21 11:19:33 by Gina88
[Vasp&Me ] [已完结]VASP5.2进行结构优化出现的问题 (2/421) ldyu 2011-10-13 2011-10-20 22:06:17 by 贺仪
[Vasp&Me ] [已完结]没有WAVECAR和CHARCAR产生？ (5/1093) xx2008 2011-10-14 2011-10-20 16:17:16 by likai0106
[Vasp&Me ] [已完结]表面吸附问题 (2/338) zxgxbh2008 2011-10-20 2011-10-20 15:21:30 by gfunction
[Vasp&Me ] [已完结]Medea问题 (3/334) zxgxbh2008 2011-10-17 2011-10-19 12:36:15 by zxgxbh2008
[Vasp&Me ] [已完结]请问有人有稀土Ce Pr Nd Sm Eu Gd Tb包含4f价电子的PAW赝势吗 (3/1195) viebn 2011-10-15 2011-10-19 11:38:47 by 后天一
[Vasp&Me ] [已完结]做表面吸附的同学，请进来看下关于如何考虑相邻吸附原子间的相互作用...    ( 1 2 ) (10/2390) gfunction 2011-10-17 2011-10-19 11:26:13 by gfunction
[Vasp&Me ] [已完结]差分电荷密度AB-A-B系统的算法问题 (0/316) CXC_小草 2011-10-19 2011-10-19 10:17:18 by CXC_小草
[Vasp&Me ] [已完结]结构优化时遇到的问题 (4/3317) zxgxbh2008 2011-10-17 2011-10-18 09:45:57 by zxgxbh2008
[Vasp&Me ] [已完结]50个原子，CI-NEB搜索过渡态需要多大内存？ (1/573) burwoad 2011-10-16 2011-10-18 09:06:54 by avast2009
[Vasp&Me ] [已完结]四方晶胞的POSCAR怎么写？ (1/315) superstat54 2011-10-17 2011-10-18 08:34:52 by fzx2008
[Vasp&Me ] [已完结]求反铁磁磁距设置问题 (2/561) wangla 2011-10-14 2011-10-17 16:02:42 by wangla
[Vasp&Me ] 请问大家一般都用charge density分析哪些性质 (11/2364) byin 2011-10-16 2011-10-17 14:26:18 by huazhorg
[Vasp&Me ] [已完结]lev00_3.26安装 (0/273) Illusionist 2011-10-17 2011-10-17 09:27:03 by Illusionist
[Vasp&Me ] 在VASP+PHONON中，怎样读力常数矩阵？ (0/545) gemucai 2011-10-17 2011-10-17 08:53:45 by gemucai
[Vasp&Me ] [已完结]结构优化不收敛 (6/2584) zxgxbh2008 2011-09-02 2011-10-17 08:34:53 by zxgxbh2008
[Vasp&Me ] [已完结]如和用vasp计算肖特基势垒 (1/1717) xiaoboy185 2011-10-15 2011-10-17 08:09:41 by yuwenxianglong
[Vasp&Me ] [已完结]运算出错 (1/672) tt-0-8 2011-10-15 2011-10-16 19:58:52 by leehb870605
[Vasp&Me ] [已完结]结构优化问题 (3/241) zxgxbh2008 2011-10-13 2011-10-16 19:07:03 by ApolloYang
[Vasp&Me ] [已完结]有人用vasp计算过coop吗？ (2/919) byin 2011-09-28 2011-10-16 18:51:36 by cavediger
[Vasp&Me ] [已完结]vasp计算中，如何选择正确的K点 (7/6774) fangyongxinxi 2011-10-12 2011-10-16 16:29:54 by dazao
[Vasp&Me ] [已完结]结构优化 (5/664) zxgxbh2008 2011-10-16 2011-10-16 14:46:23 by zxgxbh2008
[Vasp&Me ] [已完结][关贴]求文献 (0/146) liliangfang 2011-10-16 2011-10-16 09:22:09 by liliangfang
[Vasp&Me ] [已完结]lev00处理差分电荷密度CHGCAR出现的小问题 (0/415) 泰山童子 2011-10-15 2011-10-15 22:13:35 by 泰山童子
[Vasp&Me ] 【已解决】RWIGS的问题 (3/1066) youzhizhe 2010-11-24 2011-10-14 19:06:41 by youzhizhe
[Vasp&Me ] [已完结]dimer计算过渡态到0.01eV/A还有两个虚频率 (0/391) cenwanglai 2011-10-14 2011-10-14 17:15:12 by cenwanglai
[Vasp&Me ] [已完结]vasp优化力收敛条件 (6/2469) corbin 2011-10-13 2011-10-14 15:59:24 by corbin
[Vasp&Me ] [已完结][关贴]【求助】计算Mg3Ce的DOS的问题 (6/731) llg1987 2011-10-13 2011-10-13 23:00:31 by liuhuimeiwoo
[Vasp&Me ] [已完结][关贴]求两篇文献 (1/254) 困龙 2011-10-13 2011-10-13 19:56:56 by fzx2008
[Vasp&Me ] [已完结]求助：vasp结构优化不能收敛    ( 1 2 ) (18/4508) ApolloYang 2011-10-10 2011-10-13 08:51:35 by ApolloYang
[Vasp&Me ] [已完结]表面吸附问题 (5/708) zxgxbh2008 2011-10-11 2011-10-12 20:32:20 by zxgxbh2008
[Vasp&Me ] [已完结]BaAl4S7的实验带隙值？ (3/389) 282926214 2011-04-27 2011-10-12 14:48:37 by youzhizhe
[Vasp&Me ] [已完结]怎么在vasp里面设置，计算spin orbital coupling (2/803) crante 2011-10-12 2011-10-12 13:53:00 by fzx2008
[Vasp&Me ] [已完结]求助：p4vasp为什么无法打开vasprun.xml？ (4/2309) liuhuimeiwoo 2011-10-11 2011-10-12 11:17:38 by liuhuimeiwoo
[Vasp&Me ] [已完结]用vasp-band算的能带的横坐标是G 还是 Ḡ？ (2/283) crante 2011-10-11 2011-10-12 09:52:38 by crante
[Vasp&Me ] [已完结]磁性物质DOSCAR怎么拆分 (7/913) viebn 2011-09-29 2011-10-11 19:14:22 by zhenxinfly
[Vasp&Me ] 有关磁性问题 (3/638) wangla 2011-10-10 2011-10-11 12:17:31 by uuv2010
[Vasp&Me ] [已完结][关贴]关于MedeA软件的问题 (9/1214) zxgxbh2008 2011-08-18 2011-10-11 09:43:34 by zxgxbh2008
[Vasp&Me ] [已完结]求计算石墨烯吸附过度金属能带的INCAR和KPOINTS (1/601) luoyanfeng 2011-10-10 2011-10-10 22:46:00 by uuv2010
[Vasp&Me ] 求vasp 5.2源程序 (1/365) zcntydyd 2011-10-10 2011-10-10 22:31:26 by souledge
[Vasp&Me ] [已完结]Vasp LDA以及GGA的问题 (6/1704) w76990480 2011-10-09 2011-10-10 10:15:07 by kmw.8668
[Vasp&Me ] 感觉用LORBIT=10..12计算site-projected，有点不靠谱啊 (12/2194) byin 2011-09-22 2011-10-09 23:00:20 by byin
[Vasp&Me ] [已完结]第一性原理如何计算有效质量 (1/697) 子虚乌有5388 2011-10-09 2011-10-09 21:45:26 by 贺仪
[Vasp&Me ] [专家] [已完结]vasp进行固定某些原子的某些坐标的结构优化 (5/2817) dxcharlary 2011-10-09 2011-10-09 16:22:01 by gaojunfeng83
[Vasp&Me ] [已完结]同一个原胞用vasp和castep结构优化后为什么能量差距很大 (6/2802) hhshimin 2011-09-26 2011-10-09 15:49:19 by 06022043
[Vasp&Me ] [已完结]请问如何构建纳米线？谢谢大家 (1/290) calos818 2011-10-08 2011-10-09 12:01:16 by calos818
[Vasp&Me ] [已完结]Mg12Ce(II)的原子坐标 (0/258) zengalice 2011-10-09 2011-10-09 11:32:00 by zengalice
[Vasp&Me ] [专家] [已完结]vtst的NEB计算 (0/407) dxcharlary 2011-10-08 2011-10-08 23:06:55 by dxcharlary
[Vasp&Me ] [已完结]并行编译vasp出错，make: *** 没有规则可以创建“vasp”需要的目标“xml.o”。 停止    ( 1 2 ) (12/2185) pgi1706 2011-09-23 2011-10-07 17:48:15 by wusongz
[Vasp&Me ] [已完结]怎么得到旋轨耦合中不同J值的本征值和波函数？ (1ST强帖+1)(6/2366) uvv2010 2011-10-01 2011-10-07 16:23:08 by zhang668
[Vasp&Me ] 理解不透！急求帮忙！！！ (评阅-11) (1ST强帖+2)(8/1394) kmw.8668 2011-09-26 2011-10-06 08:49:13 by kmw.8668
[Vasp&Me ] [已完结]VASP Γ点的并行如何编译啊？ (2/562) panjinbo87 2011-10-05 2011-10-05 22:01:34 by panjinbo87
[Vasp&Me ] [已完结]弱弱地问一句：玻恩有效电荷是不是没有单位？如果有，是什么？ (4/1186) donggaomin 2011-10-01 2011-10-03 12:38:45 by donggaomin
[Vasp&Me ] [已完结]如何理解VASP计算得的极化P的数据？请计算过极化的同行赐教 (2/900) donggaomin 2011-10-01 2011-10-02 20:33:21 by dhc198611
[Vasp&Me ] [已完结]请问bader电荷分析得到的电荷是否可用于态密度分析，区别在哪？另外,... (1/537) piaoxue001 2011-10-01 2011-10-02 18:22:21 by uuv2010
[Vasp&Me ] [已完结]用vasp如何计算能带图和态密度图呢？    ( 1 2 ) (11/3634) 韩D小希 2011-08-25 2011-10-01 20:00:13 by sxjsn1
[Vasp&Me ] [已完结]为什么加了NPAR=1之后，电子步就报错 (6/1216) byin 2011-09-30 2011-10-01 14:51:26 by uuv2010
[Vasp&Me ] [已完结]elastic (4/666) 哥是传说 2011-09-28 2011-09-30 09:35:43 by 哥是传说
[Vasp&Me ] [已完结]vasp计算光学性质的问题 (1/3218) yygnkd 2011-04-27 2011-09-30 08:27:59 by gougou531
[Vasp&Me ] [已完结]NiO surface band gap. (0/188) B.C.Wang 2011-09-29 2011-09-29 22:55:37 by B.C.Wang
[Vasp&Me ] [已完结]vasp并行出错，急于求助！！！    ( 1 2 ) (13/1666) daidai~ 2011-09-24 2011-09-29 10:04:53 by daidai~
[Vasp&Me ] [已完结]急求晶格参数 (2/258) wangla 2011-09-22 2011-09-29 09:29:34 by 刘LOVEH
[Vasp&Me ] [已完结]怎么建超原胞 (3/894) wangla 2011-09-28 2011-09-29 08:11:46 by souledge
[Vasp&Me ] [已完结]Reviews of Modern Physics综述 (5/1327) 困龙 2011-09-23 2011-09-28 18:20:01 by 困龙
[Vasp&Me ] [已完结]求三个元素的PAW赝势 (1/248) qianbj2006 2011-09-28 2011-09-28 17:30:18 by wanglianli136
[Vasp&Me ] [已完结]求大家帮我看看脚本里有没有语法错误啊，不胜感谢！ (2/222) 轻轻飘过之 2011-09-28 2011-09-28 11:39:05 by qiqi2926
[Vasp&Me ] [已完结]态密度的展宽问题 (1/628) quby7503 2011-09-27 2011-09-28 06:46:36 by utdwang
[Vasp&Me ] 有关赝势 (4/569) liudandan3767 2011-09-27 2011-09-27 23:41:49 by iamikaruk
[Vasp&Me ] [已完结]vasp做过渡态：image, 初末态设置 (0/2288) fangyongxinxi 2011-09-27 2011-09-27 16:12:10 by fangyongxinxi
[Vasp&Me ] [已完结]求高人指点 (2/477) 泰山童子 2011-09-25 2011-09-27 15:33:36 by viebn
[Vasp&Me ] 【求助】关于空位形成能 (3/1286) bnliu 2010-11-26 2011-09-27 14:39:31 by s20080718
[Vasp&Me ] [已完结]bcc-fcc金属过渡态计算中，如何确立初始和最终态？ (1/409) fangyongxinxi 2011-09-26 2011-09-27 09:41:55 by fanchen021
[Vasp&Me ] 【求助】如何使用VASP画费米面。    ( 1 2 ) (13/3662) gleerat 2010-06-30 2011-09-26 21:19:39 by liuhuimeiwoo
[Vasp&Me ] [已完结]请教该脚本中操作符&的位置是否正确？ (4/459) daidai~ 2011-09-26 2011-09-26 17:51:13 by dxcharlary
[Vasp&Me ] [已完结]VASP计算碳纳米管能带结构 (2/788) lirui1029 2011-09-04 2011-09-26 14:10:22 by chgzhong
[Vasp&Me ] [已完结]离子环境计算是否可以进行 (2/317) phys 2011-09-08 2011-09-26 09:59:45 by uuv2010
[Vasp&Me ] [已完结]有人用VASP算过单个氮原子的能量么？ (3/958) calculation 2011-09-09 2011-09-24 23:10:46 by dufeifei
[Vasp&Me ] [已完结]请问原因：用vef.pl处理结算结果时输出文件fe.dat是空的？ (1/855) 04nylxb 2011-09-22 2011-09-24 12:00:43 by 04nylxb
[Vasp&Me ] [已完结]p4vasp 安装使用问题，急求各位帮忙 (1/897) yshl7237 2011-09-21 2011-09-24 11:23:37 by 04nylxb
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