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[热点] 退学或坚持读 难忘2018 2026-02-03 刚刚
[Vasp&Me ] 【求助】大家看下这个程序是说明什么问题的? (0/200) 215215 2010-07-20 2010-07-20 20:25:27 by 215215
[Vasp&Me ] 【求助】求二维正方和六方晶格的简约布里渊区和特殊K点坐标 (1/4732) sunray55 2010-07-20 2010-07-20 18:25:53 by 锐利的碎片
[Vasp&Me ] 【求助】vasp 离子驰豫与电子自旋的关系    ( 1 2 ) (11/2434) sduliu 2010-07-15 2010-07-20 09:55:04 by carlaty
[Vasp&Me ] 【求助】如何模拟温度影响下的晶格结构相变 (6/1860) lxjuan 2010-07-14 2010-07-19 22:27:37 by lxjuan
[Vasp&Me ] 【求助】再问购买VASP问题,非常感谢 (1/498) wnn5195 2010-07-18 2010-07-19 15:23:54 by enola
[Vasp&Me ] 【求助】纳米管的优化问题 (3/409) sduliu 2010-07-18 2010-07-18 17:35:56 by sduliu
[Vasp&Me ] 【求助】VASP中带隙如何计算 (3/2541) jinhuan123 2010-07-17 2010-07-17 21:27:08 by cenwanglai
[Vasp&Me ] 【求助】直接能隙 (9/1789) xiaojie7783 2010-07-16 2010-07-17 18:54:14 by guoguo3138
[Vasp&Me ] 【求助】gcc编译 (1/196) zjuer 2010-07-15 2010-07-15 12:44:04 by lfhuang
[Vasp&Me ] 【求助】在算neb时,无势垒这样正常吗?有这种情况发生吗? (5/1575) wup123 2010-07-12 2010-07-13 15:46:47 by wup123
[Vasp&Me ] 【求助】vasp4.6 并行编译警告怎么处理 (6/1734) njuxyh 2010-06-17 2010-07-12 15:54:40 by njuxyh
[Vasp&Me ] 【求助】请问vasp 编译的一些问题 (1/247) njuxyh 2010-07-11 2010-07-11 18:24:34 by guohuazhong
[Vasp&Me ] 【求助】优化晶格常数问题 (2/453) vaspnew 2010-07-11 2010-07-11 16:29:47 by vaspnew
[Vasp&Me ] 【求助完毕】LMAXPAW 和LMINPAW设置与PROCAR中的f有关吗? (1/575) cenwanglai 2010-07-04 2010-07-10 21:29:26 by toz66
[Vasp&Me ] 【求助】Berry Phase算铁电极化的问题 (6/1917) zhang668 2010-07-04 2010-07-10 21:21:09 by 美国老太太
[Vasp&Me ] 【求助】hit a member that was already found in another star (8/1007) Prettyswan 2010-07-03 2010-07-10 16:41:35 by ApolloYang
[Vasp&Me ] 【求助】求intel提供的vasp编译的makefile (3/780) lgxyz 2010-07-10 2010-07-10 15:55:48 by wuli8
[Vasp&Me ] 【求助成功】VASP中,如何固定磁矩做结构优化    ( 1 2 ) (14/3724) gleerat 2010-07-07 2010-07-10 09:31:34 by valenhou001
[Vasp&Me ] 【求助】请问PAW的radial cutoffs怎么设置? (3/774) 后天一 2010-04-22 2010-07-09 18:11:05 by goldenfisher
[Vasp&Me ] 【求助】NBANDS和d band center (6/2369) nxc0907 2010-07-07 2010-07-09 13:04:25 by cenwanglai
[Vasp&Me ] 【其他】杂化泛函问题 (2/400) hakuna 2010-07-05 2010-07-08 18:46:36 by hakuna
[Vasp&Me ] 【求助成功】帮忙编个进行多任务计算小程序    ( 1 2 ) (14/771) wo8165827 2010-07-08 2010-07-08 17:13:39 by wo8165827
[Vasp&Me ] 【求助】IALGO 设置问题 (4/2271) jghe 2010-07-04 2010-07-08 16:16:57 by 原子修补匠
[Vasp&Me ] 【求助】做分子动力学时 ISIF如何设置    ( 1 2 ) (11/2742) mermaid1128 2010-06-06 2010-07-08 16:15:04 by 原子修补匠
[Vasp&Me ] 【求助】求助 VASP 辅助小程序 (2/651) jgq880125 2010-07-06 2010-07-08 16:13:14 by 原子修补匠
[Vasp&Me ] 【求助】求助 vasp data viewer (3/767) shalier 2010-07-08 2010-07-08 16:11:03 by shalier
[Vasp&Me ] 【求助】50原子 超胞K点取多少的问题    ( 1 2 3 ) (23/1845) calos818 2010-07-05 2010-07-08 13:49:31 by calos818
[Vasp&Me ] 【求助】电子的温度可以设定吗? (4/1408) cuihang 2010-07-07 2010-07-07 19:47:52 by valenhou001
[Vasp&Me ] 【求助】LDA GGA 选择? (1/1301) cqgzc 2010-07-07 2010-07-07 12:03:21 by nxc0907
[Vasp&Me ] 【求助】大家都用vasp做什么?? (1/878) longchang 2010-07-06 2010-07-06 14:58:51 by s20080718
[Vasp&Me ] 【求助】求好心人再传一下vasp源程序 (0/176) wang-lf09 2010-07-05 2010-07-05 16:26:57 by wang-lf09
[Vasp&Me ] 【求助】为何要做结构优化    ( 1 2 ) (13/1799) cqgzc 2010-06-19 2010-07-05 14:12:14 by Prettyswan
[Vasp&Me ] 【求助】如何使用 I_CONSTRAINED_M 限制磁矩方向? (1/1878) keitapsp 2010-07-03 2010-07-05 14:04:16 by keitapsp
[Vasp&Me ] 【求助】VASP有限差分计算力常数和声子振动频率 (1/1207) zhang668 2010-07-04 2010-07-05 13:53:46 by stractor
[Vasp&Me ] 【求助】Performing VASP: mpich2 someties breaks down    ( 1 2 3 ) (21/2831) wnryc 2010-06-17 2010-07-05 09:46:26 by wnryc
[Vasp&Me ] 【求助】计算表面能怎样建模 (2/392) sunyang1988 2010-07-04 2010-07-05 08:37:33 by sunyang1988
[Vasp&Me ] 【求助】WARNING: stress and forces are not correct (0/1724) gaofenglili 2008-12-04 2010-07-03 15:37:22 by gaofenglili
[Vasp&Me ] 【求助】费米能级和stress and forces (3/974) xiaojie7783 2010-01-20 2010-07-03 15:33:02 by huangyc
[Vasp&Me ] 【求助】有没有能处理LORBIT=12的DOSCAR的软件? (6/1401) keitapsp 2010-06-14 2010-07-03 14:42:03 by keitapsp
[Vasp&Me ] [专家] 【求助】关于加压强结构优化的问题 (3/919) dxcharlary 2010-07-01 2010-07-03 10:45:54 by congmingbing
[Vasp&Me ] 【求助】vasp的NEB计算,输出需要哪些参数? (7/2347) gaogh 2009-11-12 2010-07-01 20:12:47 by cenwanglai
[Vasp&Me ] 【求助】跑vasp:有时出现这样的问题 (2/577) wnryc 2010-07-01 2010-07-01 16:32:23 by wnryc
[Vasp&Me ] 【求助】关于DFT+U的U值问题 (5/1402) sunyang1988 2010-06-30 2010-07-01 13:40:26 by sunyang1988
[Vasp&Me ] 【求助】lev00 version 3.20安装步骤 (金币≥2)(2/157) xiaoqiu007 2010-06-28 2010-06-30 18:22:10 by xiaoqiu007
[Vasp&Me ] 【求助】POSCAR或CONTCAR导入到MS中 (4/1564) 爱惜花草 2010-06-30 2010-06-30 18:19:24 by 爱惜花草
[Vasp&Me ] 【求助完毕】用ifort编译器编译vasp.util中的DOS工具包 (1/499) cenwanglai 2010-06-30 2010-06-30 17:15:33 by hakuna
[Vasp&Me ] 【求助】态密度单位 (2/676) stractor 2010-06-30 2010-06-30 15:15:56 by s20080718
[Vasp&Me ] 【求助完毕】vasp4.6中LORBIT=11,DOSCAR包含f吗? (0/563) cenwanglai 2010-06-29 2010-06-29 22:11:00 by cenwanglai
[Vasp&Me ] 【求助】大体系的K点设置    ( 1 2 ) (11/1680) 小木虫于 2010-06-18 2010-06-29 15:33:03 by bingmou
[Vasp&Me ] 【求助】结构优化的重要性 (5/1628) qiqi2926 2010-06-28 2010-06-29 15:27:44 by bingmou
[Vasp&Me ] 【求助】请教自旋+U计算    ( 1 2 ) (16/1810) xiaojie7783 2010-06-03 2010-06-29 10:50:25 by sunyang1988
[Vasp&Me ] 【求助】关于计算表面能 (2/594) sunyang1988 2010-06-28 2010-06-28 22:24:50 by 奥古拉斯
[Vasp&Me ] 【求助】请教vasp编译时数学库的选择 (2/767) lgxyz 2010-06-28 2010-06-28 20:29:31 by hookah
[Vasp&Me ] 【求助】谁用过Dynamical Matrix (1/446) huangyc 2010-06-28 2010-06-28 10:52:42 by cenwanglai
[Vasp&Me ] 【求助】关于复杂的结构参数的优化 (5/1146) qiqi2926 2010-06-26 2010-06-28 09:33:59 by qiqi2926
[Vasp&Me ] 【求助】求教关于优化 (6/1689) lgxyz 2010-06-25 2010-06-27 09:21:46 by lgxyz
[Vasp&Me ] 【求助】vasp编译的信息在哪个文件? (2/306) wuli8 2010-06-26 2010-06-26 21:54:43 by hedaors
[Vasp&Me ] [专家] 【求助】vasp新手求助INCAR里面的收敛度选项 (1/305) dxcharlary 2010-06-26 2010-06-26 18:51:05 by 锐利的碎片
[Vasp&Me ] 【求助】并行计算 (7/857) B.C.Wang 2010-06-24 2010-06-26 14:09:41 by gump_813276
[Vasp&Me ] 【求助】请教大家,除了 BADER 和 MULLIKEN POPULATION, 还有什么方法算电荷转移的? (1/322) limaojlu 2010-06-26 2010-06-26 13:18:09 by y1ding
[Vasp&Me ] 【求助】搞清楚两个概念 (4/865) qiqi2926 2010-06-24 2010-06-26 09:37:12 by qiqi2926
[Vasp&Me ] 【求助】如何画类似的成键电荷密度图? (0/517) peng.029 2010-06-22 2010-06-26 07:56:07 by peng.029
[Vasp&Me ] 【求助】谁能告诉我smass>0的含义 (1/1599) snail594 2010-06-25 2010-06-25 22:37:57 by condensed
[Vasp&Me ] 【求助】计算charge distribution (1/279) xiao72379 2010-06-25 2010-06-25 17:40:43 by condensed
[Vasp&Me ] 【求助】弹性常数 (2/610) 小弟刚上路 2010-06-22 2010-06-25 14:07:03 by wzh上善若水
[Vasp&Me ] 【求助】vasp结构优化 (4/617) 小木虫于 2010-06-24 2010-06-25 08:46:21 by 小木虫于
[Vasp&Me ] 【求助】新虫使用VASP。请问怎样设置POTCAR中的原子坐标啊? (4/921) dyc_2008 2010-06-24 2010-06-24 16:34:06 by qiqi2926
[Vasp&Me ] 【求助】vasp中能量差的表示 (2/419) 小木虫于 2010-06-24 2010-06-24 10:56:09 by 小木虫于
[Vasp&Me ] 【求助】vasp手册中的一个问题 (1/348) 小木虫于 2010-06-24 2010-06-24 10:49:02 by condensed
[Vasp&Me ] 【求助】用murn.f来拟合晶格常数 (4/1441) lugang911 2010-06-23 2010-06-23 15:04:23 by lugang911
[Vasp&Me ] 【求助成功】布里渊区中K点和积分路径的选择 (评阅+1) (5/4856) gleerat 2010-06-21 2010-06-23 13:49:23 by valenhou001
[Vasp&Me ] 【求助】VASP能不能计算拉曼光谱??? (1/1588) qiqi2926 2010-06-22 2010-06-22 14:23:49 by xirainbow
[Vasp&Me ] 【求助】如何计算vasp对内存的需求 (4/2784) 小木虫于 2010-06-22 2010-06-22 13:31:20 by valenhou001
[Vasp&Me ] 【求助】用 Vasp 如何给磁性体系加电场    ( 1 2 ) (12/3123) dead_soul 2010-06-10 2010-06-22 10:43:35 by sunray55
[Vasp&Me ] 【求助成功】Au表面O原子扩散过度态的计算应该固定多少个原子呢? (5/1473) cenwanglai 2010-06-17 2010-06-21 14:11:32 by stractor
[Vasp&Me ] 【求助】vasp计算前参数的验证 (3/490) lugang911 2010-06-20 2010-06-20 19:39:38 by cenwanglai
[Vasp&Me ] 【求助】关于INCAR (1/221) lugang911 2010-06-20 2010-06-20 19:22:37 by cenwanglai
[Vasp&Me ] 【求助】phonon 程序密钥如何在新机箱上使用 (4/699) wbt11129 2010-06-19 2010-06-20 14:45:29 by hedaors
[Vasp&Me ] 【求助】关于过渡态的虚频 (6/1744) 乐乐9138 2009-10-12 2010-06-19 10:18:00 by gump_813276
[Vasp&Me ] 【求助】两个要求比较的体系,一定要所有参数完全一致么?如isif或混合参数 (8/1440) 小木虫于 2010-06-18 2010-06-18 21:55:28 by 小木虫于
[Vasp&Me ] 【求助】vasp如何实现单个方向加压 (2/633) mermaid1128 2010-06-18 2010-06-18 15:12:52 by hedaors
[Vasp&Me ] 【求助】关于VASP计算的能力范围 (5/831) qiqi2926 2010-06-17 2010-06-18 10:45:16 by valenhou001
[Vasp&Me ] 【求助】VASP计算时间? (7/2170) 后天一 2010-06-04 2010-06-18 10:41:13 by valenhou001
[Vasp&Me ] 【求助】改变AMIX BMIX好么 (4/3709) 小木虫于 2010-06-17 2010-06-18 07:42:06 by 小木虫于
[Vasp&Me ] 【求助】ERROR FEXCF: supplied exchange-correlation table (2/3224) calos818 2010-06-17 2010-06-17 19:26:11 by valenhou001
[Vasp&Me ] [关贴]【转帖】VASP和ABINIT优缺点比较    ( 1 2 ) (18/6229) lxmn 2010-06-10 2010-06-17 16:09:14 by 锐利的碎片
[Vasp&Me ] 【求助】在OSZICAR文件中最后一行mag (2/677) marsdoing 2010-06-04 2010-06-17 10:51:54 by marsdoing
[Vasp&Me ] 【求助】GW /GW0/G0W0 计算是不是一定要基于HSE 计算的结果? (4/1539) vasp001 2010-06-05 2010-06-17 00:20:32 by 天空空
[Vasp&Me ] 【求助】求助K点的写法! (9/1108) zhangdelin0000 2010-06-14 2010-06-16 21:16:51 by bingmou
[Vasp&Me ] 【求助】请帮下决心:买VASP(经费不多)还是免费的(如abinit)?    ( 1 2 ) (11/2550) tfl03 2010-06-10 2010-06-14 09:38:19 by dawnlight
[Vasp&Me ] 【求助】vasp结构优化时,LORBIT=11没有注释掉有无影响? (4/2536) 学员Wh9wTw 2010-06-13 2010-06-13 11:26:53 by calos818
[Vasp&Me ] 【求助成功】关于PDOS (8/1470) sw-2384 2010-06-10 2010-06-13 09:38:47 by sw-2384
[Vasp&Me ] 【原创】在direct和cartisian坐标之间转换的小程序 (6/2235) gump_813276 2010-06-11 2010-06-12 12:55:16 by cenwanglai
[Vasp&Me ] 【求助】结构优化时设置ISIF=4时不收敛如何解决 (8/1850) zhoudq 2010-06-09 2010-06-11 23:03:08 by gump_813276
[Vasp&Me ] 【求助】RWIGS设置 (1/294) sw-2384 2010-06-11 2010-06-11 10:43:22 by quby7503
[Vasp&Me ] 【求助成功】求Fe, C, Si, H 的PAW-GGA, PW91赝势 (1/297) sw-2384 2010-06-10 2010-06-10 17:31:17 by weiwei128
[Vasp&Me ] 【求助】vasp计算磁性 (2/741) chimegreen 2010-06-10 2010-06-10 12:32:30 by 西晋书生
[Vasp&Me ] 【求助】vasp做分子动力学时原子间的相互作用势如何处理 (0/470) mermaid1128 2010-06-10 2010-06-10 10:40:20 by mermaid1128
[Vasp&Me ] 【求助】讨论一下vasp4.6 和vasp5.2的计算速度 (8/1250) guohuazhong 2010-06-08 2010-06-10 09:04:11 by dead_soul
[Vasp&Me ] 【求助】OPTIC.F 原代码的编写者Dr. Juergen Furthmueller的新e-mail (2/541) njuxyh 2009-10-19 2010-06-09 23:35:50 by siestafonda
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