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[热点] 一志愿211,化学学硕,310分,本科重点双非,求调剂 努力奋斗112 2026-04-07 刚刚
[Vasp&Me ] [已完结]递交超算任务,总是在排队,不执行计算任务是什么原因? (2/2153) zcmlxy 2014-05-01 2014-05-07 09:04:35 by zcmlxy
[Vasp&Me ] [已完结]VASP怎么安装?安装在什么系统下啊? (4/1924) 段建霞 2014-05-06 2014-05-07 05:35:28 by userhung
[Vasp&Me ] [已完结]VASP计算是否总是需要考虑自旋极化 (4/2480) conperint 2014-05-06 2014-05-06 18:59:26 by conperint
[Vasp&Me ] [已完结]loop.sh运行vasp计算不同参数 (2/393) wmy8802217 2014-05-06 2014-05-06 17:37:39 by wmy8802217
[Vasp&Me ] [已完结]怎么用p4vasp画能带图???求助 (4/4533) 827260864 2014-04-30 2014-05-06 16:24:12 by 827260864
[Vasp&Me ] 单层石墨烯能带问题 (6/1517) Amity0920 2014-05-04 2014-05-06 15:16:40 by Amity0920
[Vasp&Me ] [已完结]静态自洽计算遇到的问题 (5/1792) 缺心眼桌 2011-10-18 2014-05-06 06:07:31 by 身在长沙
[Vasp&Me ] [已完结]「已解決」CHGCAR与PARCHG内容求助 (2/1640) repent03 2012-03-20 2014-05-06 05:52:10 by 纪念卡勒斯
[Vasp&Me ] [已完结]Vasp在计算二维材料如石墨烯的时候怎么设置POSCAR和其他输入文件? (6/3690) wmy8802217 2014-05-05 2014-05-05 20:18:10 by mywai520
[Vasp&Me ] [已完结]Vaspview无法打开DOSCAR (4/815) liuhuimeiwoo 2011-10-09 2014-05-05 20:01:35 by mywai520
[Vasp&Me ] [已完结]请问怎么分析单层二硫化钼本征缺陷对态密度的影响? (2/1145) universpider 2014-05-04 2014-05-05 14:00:19 by universpider
[Vasp&Me ] vasp的CUDA版 (14/2970) nkleof 2011-10-19 2014-05-05 10:17:52 by zhaoshukun
[Vasp&Me ] 【求助】用vasp计算磁矩的问题    ( 1 2 ) (13/4530) congmingbing 2010-06-28 2014-05-05 08:42:12 by 黑暗游侠
[Vasp&Me ] [已完结]会用VASP计算单个原子能量的高手进来! (3/3125) 小小鑫000 2014-05-03 2014-05-05 03:13:43 by jpchou
[Vasp&Me ] [已完结]表面模型的优缺点比较 (9/3458) 零下1℃ 2014-05-04 2014-05-04 20:53:03 by 零下1℃
[Vasp&Me ] [已完结]vasp压力下计算band、dos、声子谱的问题    ( 1 2 ) (19/3459) dx0620 2014-05-02 2014-05-04 16:31:12 by sungjen
[Vasp&Me ] [已完结]硅的光学计算结果在低于带隙部分有光吸收 (5/1339) hutudiangong 2014-05-02 2014-05-04 15:23:45 by hutudiangong
[Vasp&Me ] 什么是电子步和离子步,他们的意义是什么? (6/4639) linda19918 2014-04-07 2014-05-03 22:11:39 by lulutiantian
[Vasp&Me ] [已完结]关于VASP结构优化 (5/1175) 对马拉二胡 2014-05-03 2014-05-03 11:54:39 by mywai520
[Vasp&Me ] [已完结]VASP计算band遇到问题了求助 (1/518) Alice_0309 2014-05-03 2014-05-03 09:38:49 by mywai520
[Vasp&Me ] [已完结]计算点缺陷参数设置问题 (7/1359) llg1987 2012-07-31 2014-05-03 08:01:33 by shaolin1120
[Vasp&Me ] [已完结]请教:这样的电荷密度图是如何做出来的,原图是石墨烯吸附原子的图 (3/1266) 甲斐之虎 2014-05-01 2014-05-02 21:53:43 by mywai520
[Vasp&Me ] [已完结]phonopy 改变disp位移值 出错! (2/922) tinkie0411 2014-04-04 2014-05-02 19:59:50 by tinkie0411
[Vasp&Me ] [已完结]并行vasp安装后运行出错 (7/1771) dk1013 2012-11-30 2014-05-02 19:30:24 by wmy8802217
[Vasp&Me ] [已完结][关贴]用dos_procar处理dos数据不准 (3/1624) dx0620 2014-05-02 2014-05-02 16:50:24 by mywai520
[Vasp&Me ] 稀土掺杂自旋极化的DOS图向上自旋和向下自旋的图为什么不对称 (1/1773) lina_1016 2014-05-02 2014-05-02 10:17:12 by lina_1016
[Vasp&Me ] [已完结]使用VASP计算纳米带能带结构方面的问题 (4/1755) a673121110 2014-05-01 2014-05-02 10:09:36 by a673121110
[Vasp&Me ] 摘抄自百度文库的一篇关于计算partial charge的文章,很详细,值得初学者学习。 (0/5225) 洁如玉 2014-05-02 2014-05-02 09:41:10 by 洁如玉
[Vasp&Me ] [已完结]单胞与超胞在DOS计算中费米能级位置的差别 (3/1308) WATERpml 2014-05-01 2014-05-02 08:26:50 by mywai520
[Vasp&Me ] [已完结]vasp中设置了PREC = ACCURATE还有必要设置ADDGRID = True吗 (1/5779) wangjiang12 2014-05-01 2014-05-01 16:17:00 by mywai520
[Vasp&Me ] [已完结]VASP计算停止条件设置 (3/1044) jiangge122 2014-05-01 2014-05-01 14:48:33 by mywai520
[Vasp&Me ] fropho计算的比热,S的数值怎么不对啊 (2/407) 马江将 2014-05-01 2014-05-01 10:42:33 by 马江将
[Vasp&Me ] [已完结]怎么得到分子轨道的PDOS (2/1162) pangrui1985 2014-04-30 2014-05-01 09:31:45 by pangrui1985
[Vasp&Me ] [已完结]vasp收敛性测试一般是做结构优化还是静态计算啊 (1/1887) jiangge122 2014-05-01 2014-05-01 00:16:17 by mywai520
[Vasp&Me ] [已完结]关于“total drift”的问题 (2/1530) xiewenze 2014-04-30 2014-04-30 22:33:48 by xiewenze
[Vasp&Me ] [已完结]石墨烯纳米带参杂优化问题。 (5/1498) fyzhuhui 2014-04-30 2014-04-30 22:15:01 by mywai520
[Vasp&Me ] [已完结]Vasp计算如何计算电荷密度差(charge density difference) (1/3070) wangjiang12 2014-04-30 2014-04-30 20:32:39 by mywai520
[Vasp&Me ] vasp5.2可以用linear response theory方法计算声子谱,声子态密度吗??    ( 1 2 ) (15/3659) happy小海 2014-04-25 2014-04-30 14:59:25 by happy小海
[Vasp&Me ] [已完结]采用PBS脚本第一次提交任务,算了1步就被杀死,有错误提示但不知道原因?    ( 1 2 ) (19/3022) VASP_2012 2012-04-22 2014-04-30 10:53:32 by zhjh888888
[Vasp&Me ] [已完结]运行中的故障 (2/553) csuliutao 2014-04-30 2014-04-30 09:19:56 by csuliutao
[Vasp&Me ] [已完结]Vasp计算charge densities (3/943) wangjiang12 2014-04-29 2014-04-30 08:57:31 by 李天帮
[Vasp&Me ] 这篇评论文章值得初学者学习一下以免以后犯类似的问题    ( 1 2 ) (评阅+5) (18/6264) valenhou001 2014-03-28 2014-04-30 00:36:31 by dxcharlary
[Vasp&Me ] [已完结]求助:优化了快一个月,还是没有结果 (7/1040) 对马拉二胡 2014-04-29 2014-04-29 14:49:15 by 490105179
[Vasp&Me ] [已完结]EDIFF EDIFFG之间设置关系    ( 1 2 ) (12/5677) niuxiaoqi721 2012-09-20 2014-04-29 13:12:49 by sungjen
[Vasp&Me ] [已完结]关于价电子密度等值面图(isosurfaces of the total valence electron density) (4/2775) 对马拉二胡 2014-04-27 2014-04-29 09:29:18 by 对马拉二胡
[Vasp&Me ] [已完结]关于金刚石结构最稳定的表面 (6/1695) sungjen 2014-04-28 2014-04-29 08:29:28 by sungjen
[Vasp&Me ] [已完结]师兄师姐们,老师教授么,帮帮我啊。 (2/393) ICEER 2014-04-28 2014-04-28 20:15:40 by ICEER
[Vasp&Me ] [已完结]VASP计算数据画电荷密度图    ( 1 2 ) (12/5122) 零下1℃ 2014-04-11 2014-04-28 15:48:43 by 零下1℃
[Vasp&Me ] [已完结]请教各位大侠DOS问题    ( 1 2 ) (13/1092) lzlgcdc 2013-02-28 2014-04-28 15:26:38 by 707462558
[Vasp&Me ] [已完结]计算phonopy 提示没安装python-lxml    ( 1 2 ) (14/1660) 小木虫于 2014-04-20 2014-04-27 16:58:08 by 小木虫于
[Vasp&Me ] 请各位看看内存用量正不正常 (2/537) yangyuqi 2014-04-23 2014-04-26 17:36:10 by hakuna
[Vasp&Me ] VASP利用分子动力学优化基态结构 (1/1041) damao4361556 2014-04-26 2014-04-26 17:30:13 by hakuna
[Vasp&Me ] [已完结]超胞,k点2x2x2,算dos的时候ISMEAR怎么选择? (6/2150) busstop 2014-04-23 2014-04-26 11:03:24 by jiewei
[Vasp&Me ] [已完结]vasp表面和吸附分子的结构分别优化后,如何将它们放到一起    ( 1 2 ) (11/4297) dingniu2 2013-06-11 2014-04-26 06:29:04 by 零下1℃
[Vasp&Me ] [已完结]VESTA电荷密度分布图 (2/2178) 问天麦饼 2014-04-24 2014-04-25 21:12:31 by 问天麦饼
[Vasp&Me ] [已完结]VASP静态自洽 一步就结束了 急求帮助~!    ( 1 2 ) (12/3227) honeyiclover 2011-11-03 2014-04-25 21:08:27 by mywai520
[Vasp&Me ] vasp做分子动力学 (7/1658) anewtry 2014-04-25 2014-04-25 20:49:48 by sjmr1221
[Vasp&Me ] [已完结]VASP计算TiO2能带竟然没有带隙 (3/1686) bshliu 2013-10-31 2014-04-25 19:18:28 by mywai520
[Vasp&Me ] [已完结]专业概念及计算方法求助 (5/751) chiweijie 2014-04-24 2014-04-25 18:31:35 by mywai520
[Vasp&Me ] [已完结]VASP算加U自洽时计算遇到问题 (5/916) Alice_0309 2014-04-25 2014-04-25 18:11:28 by Alice_0309
[Vasp&Me ] [已完结]表面体系的结构优化    ( 1 2 ) (12/3815) 葵cc_ 2014-04-04 2014-04-25 15:23:46 by sungjen
[Vasp&Me ] [已完结]关于vasp计算表面能中的Ebulk (7/2754) 冷小漠 2012-10-15 2014-04-25 14:13:48 by sungjen
[Vasp&Me ] [已完结]跪求诸位师哥师姐教师教授们的帮助!!!! (6/852) 343835340 2014-04-25 2014-04-25 13:27:34 by mywai520
[Vasp&Me ] [已完结]求助怎么画自旋密度分布图,及具体步骤?    ( 1 2 ) (10/6099) 巨蟹水蜜桃 2014-04-21 2014-04-25 12:27:21 by pangrui1985
[Vasp&Me ] [已完结]模型中有三种原子,有两种的个数都上百个,请问如何画出 每一种 原子的态密度图呢 (8/1776) 踏行者 2014-04-24 2014-04-25 11:00:26 by 踏行者
[Vasp&Me ] [已完结]杂化泛函计算问题 (4/1048) wqg1806 2014-03-14 2014-04-25 02:22:34 by wqg1806
[Vasp&Me ] [已完结]最新版的vasp说明书 (2/1150) anewtry 2014-04-23 2014-04-24 14:36:07 by 甲斐之虎
[Vasp&Me ] [已完结]【求助】请问如何用P4VASP在LINUX系统下画能带图,或者导出数据 (5/2934) hohoo居 2013-04-11 2014-04-24 13:28:24 by 零下1℃
[Vasp&Me ] [已完结]用vasp5.2版本计算bader charge的高手进来! (4/1673) 小小鑫000 2014-04-23 2014-04-24 10:36:59 by mywai520
[Vasp&Me ] P4VASP (4/838) zhangfan2192 2012-07-20 2014-04-24 06:57:14 by phdping
[Vasp&Me ] [已完结]CHGCAR的文件含义 (7/4242) 问天麦饼 2014-04-22 2014-04-24 06:33:23 by jpchou
[Vasp&Me ] [已完结]请教一个关于能带图的问题 (5/1113) lingch1990 2014-04-23 2014-04-24 06:21:04 by jpchou
[Vasp&Me ] [已完结]vasp自洽计算错误forrtl: severe (174): SIGSEGV, segmentation fault occurred (2/5113) 黄河honour 2013-12-02 2014-04-24 05:35:52 by mywai520
[Vasp&Me ] 【求助】关于电荷密度图 (17/3268) kmw.8668 2010-11-30 2014-04-23 12:28:11 by goodchildren
[Vasp&Me ] 【求助成功】从原胞到表面吸附结构,一套完整的计算,怎么规划优化?    ( 1 2 ) (评阅+2) (12/2392) cenwanglai 2010-05-23 2014-04-23 07:12:08 by sungjen
[Vasp&Me ] [已完结]关于自旋轨道耦合能量最低方向的判断。 (5/1615) yuexiaoy1981 2014-04-22 2014-04-22 23:02:01 by mywai520
[Vasp&Me ] [已完结]求lev00软件包及安装手册    ( 1 2 ) (18/3193) CXC_小草 2011-11-07 2014-04-22 16:01:15 by 问天麦饼
[Vasp&Me ] 【求助】求助差分电荷密度的脚本! (45/5909) haowenping 2011-04-13 2014-04-22 15:51:25 by 问天麦饼
[Vasp&Me ] [已完结]vasp中加范德华力的问题 (1/2150) 阳光的影子 2014-04-22 2014-04-22 15:29:47 by pangrui1985
[Vasp&Me ] [已完结]用H去钝化悬挂键 (1/701) tablesos 2014-04-21 2014-04-22 00:34:49 by mywai520
[Vasp&Me ] [已完结]在算MoS2的三层结构的能带时出现问题 (6/2309) 12345054321 2014-04-19 2014-04-22 00:10:35 by iamikaruk
[Vasp&Me ] [已完结]VSAP计算中出现这个提示是什么问题啊,求高手    ( 1 2 ) (18/2501) 郭芳8888 2014-04-17 2014-04-21 21:45:50 by 郭芳8888
[Vasp&Me ] [已完结]关于vasp模拟STM时偏压问题 (5/2980) dumbgirl 2014-04-21 2014-04-21 19:53:48 by dumbgirl
[Vasp&Me ] [已完结]关于VASP如何选择赝势的问题 (4/2127) linda19918 2014-04-16 2014-04-21 19:42:25 by linda19918
[Vasp&Me ] [已完结]非键计算问题 (6/870) liufeng0619 2014-04-04 2014-04-21 16:00:57 by liufeng0619
[Vasp&Me ] VASP 中 能直接用HSE06泛函 优化构型吗? (5/2600) damao4361556 2014-04-19 2014-04-21 14:40:01 by 490105179
[Vasp&Me ] [已完结]锗的能带 (6/998) davimi 2014-04-17 2014-04-21 09:56:06 by davimi
[Vasp&Me ] [已完结]热力学性质计算 (3/1691) 墨明棋妙陈 2013-12-09 2014-04-21 08:57:52 by lulutiantian
[Vasp&Me ] [已完结]做电荷密度图的问题    ( 1 2 ) (12/2194) 苦行客 2014-04-16 2014-04-20 23:32:05 by sjzxbe
[Vasp&Me ] [已完结]VASP计算DOS遇到问题了 求助求助 (1/660) Alice_0309 2014-04-20 2014-04-20 15:14:07 by mywai520
[Vasp&Me ] [已完结]回复审稿意见——几种元素加U的问题 (8/2144) 707462558 2014-04-14 2014-04-20 13:47:35 by 707462558
[Vasp&Me ] [已完结]如何计算缺陷的能级 (1/1596) beibeilover 2014-04-18 2014-04-18 16:37:35 by 灯塔守望者
[Vasp&Me ] [已完结]续跑的一些问题,小女子恳求大侠了 (5/895) joyce79928 2014-04-17 2014-04-18 10:36:11 by joyce79928
[Vasp&Me ] [已完结]vasp中如何实现不等价掺杂计算,比如Pd2+掺杂SnO2 (2/708) jcifzu 2014-04-09 2014-04-18 10:12:12 by mywai520
[Vasp&Me ] 表面声子谱 (0/401) pinwei2014 2014-04-17 2014-04-17 19:46:39 by pinwei2014
[Vasp&Me ] [专家] [已完结]关于(VASP)Fe100表面的SCF收敛    ( 1 2 ) (19/2768) 卡开发发 2014-04-15 2014-04-17 18:53:38 by 卡开发发
[Vasp&Me ] 大家讨论一下BiFeO3 体系中,磁性对振动性质的影响 (15/1140) future_wl 2013-09-04 2014-04-17 15:35:18 by yipaishi
[Vasp&Me ] [已完结]vasp计算雨贡纽曲线 (5/1653) 叶仙儿 2013-02-28 2014-04-17 14:06:56 by 叶仙儿
[Vasp&Me ] [已完结]钻石中掺杂Eu晶体用vesta画图 (4/1846) lina_1016 2014-04-17 2014-04-17 11:09:28 by lina_1016
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