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[热点] 11408 359分 求调剂 yfever 2026-04-04 刚刚
[Vasp&Me ] [已完结]结构优化 POSCAR CONTCAR相差甚远 (0/569) tuhaidan 2012-03-08 2012-03-08 22:01:48 by tuhaidan
[Vasp&Me ] [已完结]请问vasp是把费米能级移到导带低的吗? (6/3598) seaso 2012-03-05 2012-03-08 18:55:47 by seaso
[Vasp&Me ] [已完结]VASP 总收敛为亚铁磁,如何限定磁矩计算? (0/691) hadone 2012-03-08 2012-03-08 18:43:38 by hadone
[Vasp&Me ] [已完结]fropho声子谱 (6/574) lhcl 2012-03-05 2012-03-08 16:46:34 by lhcl
[Vasp&Me ] [已完结]帮查下KTaO3的ICSD (4/1111) lufly89 2012-03-03 2012-03-08 14:55:17 by lufly89
[Vasp&Me ] [已完结]vasp就算态密度 (1/402) xiehui0608 2012-03-08 2012-03-08 14:41:13 by uuv2010
[Vasp&Me ] [已完结]vasp k点 (6/751) xiaoboy185 2012-02-24 2012-03-08 14:17:32 by dielectric1
[Vasp&Me ] [已完结]不同功能vasp的编译 (4/1491) shelay 2012-03-07 2012-03-08 13:17:26 by uuv2010
[Vasp&Me ] [已完结]关于VASP手册中两个参数设置的问题,希望大家指点一下! (2/1321) buct2010 2012-02-29 2012-03-08 08:14:04 by 09njtpw
[Vasp&Me ] [已完结]vasp中每个离子步结束后的dE是怎么定义的 (9/1777) sunyang1988 2011-06-16 2012-03-07 21:49:27 by sunyang1988
[Vasp&Me ] [关贴]【分享】2010年4月9日科大宏剑培训Medea 2.4 manual (14/2132) cenwanglai 2010-04-09 2012-03-07 19:36:03 by cenwanglai
[Vasp&Me ] [已完结]为什么VASP算出来Gd的磁矩总是偏小?    ( 1 2 ) (14/4126) 语逸 2012-03-01 2012-03-07 19:10:06 by 语逸
[Vasp&Me ] 【求助】求vasp.4.6 安装必备软件    ( 1 2 ) (13/2728) piaoxue001 2010-08-30 2012-03-07 17:17:31 by 月下冰魂
[Vasp&Me ] 两个原子靠近成键的过程中,系统总能量会不会发生变化? (3/1384) egogg 2012-03-07 2012-03-07 16:51:26 by identation
[Vasp&Me ] [已完结]求SnO2(金红石四方晶体结构)处理k点的syml程序 (评阅-1) (4/1703) caesarly 2012-03-07 2012-03-07 16:39:31 by caesarly
[Vasp&Me ] [已完结]关于Si在Ti-N岛均匀生长建模 (1/385) zhizhuopaigu 2012-03-07 2012-03-07 15:31:06 by 贺仪
[Vasp&Me ] [已完结]VASP 运行MD的相关问题 (8/1880) gtssongchi 2011-08-19 2012-03-07 12:42:49 by wujing110
[Vasp&Me ] [已完结]Mg12ZnY晶体结构 (3/835) aaa207 2012-03-06 2012-03-07 12:41:35 by hwceng0816
[Vasp&Me ] [已完结]【求助成功】做表面吸附的同学,请进来看下关于K点的问题.... (5/1428) gfunction 2011-10-03 2012-03-07 06:56:11 by HONEY梅宝宝
[Vasp&Me ] [已完结]vasp 运行 (3/272) xiaoboy185 2012-03-06 2012-03-06 15:40:11 by wyxhenu
[Vasp&Me ] [已完结]怎样将vasp计算的频率列出来 (7/2208) duoruimi 2012-03-05 2012-03-06 14:59:13 by llhhvhnh
[Vasp&Me ] [已完结]麻烦师兄师姐指点一二,谢谢 (7/1149) lmliu59 2012-03-05 2012-03-06 14:51:52 by seaso
[Vasp&Me ] [已完结]vasp中force和stress的含义 (1/1887) lascqy 2012-03-05 2012-03-05 18:56:46 by fzx2008
[Vasp&Me ] [已完结]结构优化 PBE+U PBE (2/2436) tuhaidan 2012-03-04 2012-03-05 17:43:01 by wujiandongde
[Vasp&Me ] [已完结]vasp考虑自旋轨道耦合后的磁性 (1/791) 小木虫于 2012-03-03 2012-03-05 14:21:48 by uuv2010
[Vasp&Me ] [已完结]弛豫中间不太好有没有关系? (3/708) ffzx 2012-03-03 2012-03-05 11:30:50 by kmw.8668
[Vasp&Me ] [已完结]求 O和H PW-PBE 和PW91 赝势 (4/1213) bjmaowei25 2012-03-04 2012-03-05 09:19:26 by bjmaowei25
[Vasp&Me ] [已完结]lev00安装出现错误…… (4/1568) thelrgbird 2012-03-03 2012-03-05 08:48:32 by thelrgbird
[Vasp&Me ] [已完结]菜鸟求教——VASP怎么计算石墨烯的拉曼谱? (0/268) AesNaegea 2012-03-04 2012-03-04 22:42:50 by AesNaegea
[Vasp&Me ] [已完结]VASP结构优化时出现的POTIM问题 (4/3634) leisy 2012-02-29 2012-03-04 19:44:16 by thinkllh
[Vasp&Me ] [已完结]EIGENVAL 和 DOSCAR (3/1105) xiaoboy185 2012-03-03 2012-03-03 22:13:30 by uuv2010
[Vasp&Me ] [已完结]为什么我进行Si结构优化的时候只进行了一次离子步的计算? (9/2223) 发光的橘子 2012-03-02 2012-03-03 14:27:56 by rex881026
[Vasp&Me ] 【求助】vasp 源代码怎么学习    ( 1 2 ) (12/3228) yidiandian2703 2010-09-14 2012-03-03 09:54:20 by uuv2010
[Vasp&Me ] [已完结]vasp.5.2.12计算能带不容易收敛的问题 (1/357) stewart1922 2012-02-25 2012-03-02 21:49:26 by uuv2010
[Vasp&Me ] [已完结]如何在vasp中看到计算的berry phase 相位? (0/438) gaojin06 2012-03-02 2012-03-02 16:24:04 by gaojin06
[Vasp&Me ] [已完结]VASP (6/810) liuqun 2012-02-25 2012-03-02 10:58:21 by gougou531
[Vasp&Me ] [已完结]参数ISMEAR的设置 (3/1411) youzhizhe 2012-03-01 2012-03-02 08:35:01 by liliangfang
[Vasp&Me ] vasp分子动力学NVE,能量出现震荡峰是为什么? (9/2204) egogg 2012-02-29 2012-03-01 14:07:13 by egogg
[Vasp&Me ] [已完结]收敛精度 (7/2727) bjmaowei25 2012-02-28 2012-03-01 03:29:14 by bjmaowei25
[Vasp&Me ] [已完结]结构优化 a=b ----> a不等于b (3/1119) tuhaidan 2012-02-29 2012-03-01 00:02:38 by thinkllh
[Vasp&Me ] [已完结]求用第一性原理分子动力学做的paper,VASP,cpmd都可以。学习用~ (0/416) cenwanglai 2012-02-29 2012-02-29 15:48:39 by cenwanglai
[Vasp&Me ] 【求助】vasp计算能带时不需要WAVECAR? (9/2056) nkleof 2010-05-10 2012-02-29 10:57:31 by liujuan8704
[Vasp&Me ] [已完结]关于NELMDL的设置 (3/1290) xiaoboy185 2012-02-28 2012-02-29 01:42:47 by DFT+U
[Vasp&Me ] [已完结]关于Cij对单晶与多晶的弹性性能的差异 (2/474) seek269 2012-02-21 2012-02-28 22:43:19 by fanarsenal
[Vasp&Me ] [已完结]关于vasp收敛和优化    ( 1 2 3 ) (24/3627) bjmaowei25 2012-02-24 2012-02-28 19:21:27 by bjmaowei25
[Vasp&Me ] [已完结]如何使用xcrysden软件建立模型 (3/1352) gougou531 2011-11-21 2012-02-28 15:38:27 by xiaoyukaka
[Vasp&Me ] [已完结]教教我怎样实现VASP并行计算 (3/2627) modest 2012-02-28 2012-02-28 14:42:13 by liliangfang
[Vasp&Me ] [已完结]求助:不同空间群的晶体,在画能带结构时K点绕发的选择依据 (2/403) daidai~ 2012-02-27 2012-02-27 17:59:46 by daidai~
[Vasp&Me ] [已完结]vasp安装 (4/653) shmilylxc 2012-02-24 2012-02-27 12:05:54 by enola
[Vasp&Me ] [已完结]atomic basins 作图方法 (2/248) FFFd3689 2012-02-27 2012-02-27 11:01:51 by doudou3689
[Vasp&Me ] [已完结][关贴]【求助】谁有VASP 09年更新的Au势啊 (0/205) guitar2033 2012-02-27 2012-02-27 08:05:07 by guitar2033
[Vasp&Me ] [已完结]Vasp并行编译出错 (7/2025) emilyoyang 2012-02-22 2012-02-26 21:32:34 by 量化新手
[Vasp&Me ] [已完结]PBS脚本提交后Error    ( 1 2 ) (11/1780) fanarsenal 2012-02-24 2012-02-26 19:37:00 by fanarsenal
[Vasp&Me ] [已完结]Xcrysden打开文件出错    ( 1 2 ) (11/1929) butterflyyh 2012-02-25 2012-02-26 17:53:59 by souledge
[Vasp&Me ] [已完结]弹性常数计算的失败 (2/503) zhxd1028 2012-02-23 2012-02-25 23:01:53 by zhxd1028
[Vasp&Me ] [已完结]请教固定吸附位置的优化问题 (1/609) 独唱团 2012-02-24 2012-02-25 10:42:08 by cavediger
[Vasp&Me ] vasp5.2 openmpi+intel+mkl编译,能量正值问题 (7/2437) chenweiguang 2011-11-16 2012-02-25 07:49:11 by cavediger
[Vasp&Me ] [已完结]关于第一性原理中的gk.f,pbnd.f,syml等的几个问题 (1/1351) 70576077 2012-02-23 2012-02-24 18:49:18 by liliangfang
[Vasp&Me ] [已完结]VASP优化不成功,找不到原因 (8/2097) csjfding 2012-02-23 2012-02-24 18:41:07 by liliangfang
[Vasp&Me ] [已完结]VASP做分子动力学模拟的时候,CONTCAR文件能不能删除掉修正的部分直接使用? (3/1696) egogg 2012-02-23 2012-02-24 18:23:02 by egogg
[Vasp&Me ] [已完结]关于 murn.x <inp.m>out.m 执行 (4/1449) bjmaowei25 2012-02-23 2012-02-24 13:03:38 by fanarsenal
[Vasp&Me ] [已完结]the antiphase boundary (APB) energies (1/415) fulin 2012-02-23 2012-02-23 20:08:52 by iamikaruk
[Vasp&Me ] [已完结]run_a0 运行错误 (2/463) bjmaowei25 2012-02-23 2012-02-23 09:52:25 by bjmaowei25
[Vasp&Me ] [已完结]vasp5.2 计算光学性质时的取点密度问题 (1ST强帖+1)(1/1127) lascqy 2012-02-22 2012-02-22 21:22:10 by 后天一
[Vasp&Me ] [已完结]Gd/Fe(100)表面体系,LMAXMIX怎么设呢,是6还是4?望各位指点,万分感谢! (0/1229) 语逸 2012-02-22 2012-02-22 10:11:58 by 语逸
[Vasp&Me ] [已完结]vasp做HSE杂化计算,考虑旋轨耦合,报错 (2/610) zhaohuxian 2012-02-21 2012-02-22 10:02:36 by uuv2010
[Vasp&Me ] [已完结]请教如何计算室温下的晶格常数【VASP】 (3/1433) fliablepig 2012-02-20 2012-02-22 02:54:11 by fliablepig
[Vasp&Me ] [已完结]常压和高压下N的能量 (3/961) 06022043 2012-02-21 2012-02-21 16:05:28 by dxcharlary
[Vasp&Me ] [已完结]新人求助 关于VASP计算前验证时的参数设置 (1/262) xingyexue 2012-02-20 2012-02-21 09:31:40 by liliangfang
[Vasp&Me ] [已完结]vasp 磁性计算结果的请教 (0/564) 漂浮的萸 2012-02-20 2012-02-20 17:08:04 by 漂浮的萸
[Vasp&Me ] [已完结]关于脚本书写求助    ( 1 2 ) (12/1463) thelrgbird 2012-02-16 2012-02-20 14:58:25 by 贺仪
[Vasp&Me ] [已完结]求教关于vasp中考虑弱相互作用时 LVDW参数的使用 (0/2644) stewart1922 2012-02-20 2012-02-20 14:39:32 by stewart1922
[Vasp&Me ] [已完结]求助查晶格结构的网站或资料 (3/1190) yyzhu027 2012-02-18 2012-02-20 12:35:03 by souledge
[Vasp&Me ] VASP计算Gd-Fe体系U值及加自旋轨道耦合的一些问题 (0/793) 语逸 2012-02-20 2012-02-20 11:54:57 by 语逸
[Vasp&Me ] 千兆网vasp跨节点并行慢的很,正常吗? (12/2313) lzllzl 2012-02-18 2012-02-19 14:00:36 by sandycug
[Vasp&Me ] [已完结]berry相计算极化时的疑问 (1/281) mazuju028 2012-02-16 2012-02-19 09:52:58 by mazuju028
[Vasp&Me ] [已完结]请大神门帮我看看这个错误,在线等待答案    ( 1 2 ) (11/1996) guodonglin 2012-02-16 2012-02-18 21:10:10 by abinitio1
[Vasp&Me ] [已完结]vasp计算过程非正常断开如何重新开始算 (0/421) yyzhu027 2012-02-18 2012-02-18 19:49:15 by yyzhu027
[Vasp&Me ] [已完结]vasp优化难收敛,请大家给我看看 (5/1508) guodonglin 2012-02-18 2012-02-18 19:44:33 by WDD880227
[Vasp&Me ] [已完结]急问 现在哪里的计算中心有vasp5.2.12? (6/1766) stewart1922 2012-02-18 2012-02-18 17:49:03 by bluewhale
[Vasp&Me ] VASP输入文件的准备工具: vasp scripter (8/2882) valenhou001 2012-01-05 2012-02-17 19:53:56 by gfei2008
[Vasp&Me ] [已完结]vasp总是在写波函数的时候意外退出 (2/564) byin 2012-02-16 2012-02-17 14:39:33 by byin
[Vasp&Me ] 【求助】谁用过vasp 5.2?5.2和4.6的差别在哪里? (8/2682) 顺水 2009-11-24 2012-02-17 12:27:01 by techfan
[Vasp&Me ] 【求助】vasp 加电场时,电场的方向如何定义?谢谢 (2/1398) sunray55 2010-08-12 2012-02-16 21:24:08 by hnfdzjy
[Vasp&Me ] 【求助】弹性不稳定,声子会稳定吗?    ( 1 2 ) (18/2199) lw2252 2010-05-16 2012-02-16 13:38:52 by encke
[Vasp&Me ] [已完结]麻烦有gotoblas的给发一份,谢! (3/1660) lieren3062 2012-02-14 2012-02-15 10:03:35 by souledge
[Vasp&Me ] 联合培养或者出来都博士,要求熟练掌握VASP (7/1931) tianlangxingaa 2012-01-11 2012-02-14 23:05:38 by 贺仪
[Vasp&Me ] 【求助】谁能帮忙传一个的gotoblas2 (7/1475) cpmd 2010-01-07 2012-02-14 21:43:05 by lieren3062
[Vasp&Me ] [已完结]请问有东南大学王金兰老师课题组的学生么?有问题想请教 (5/2405) stewart1922 2012-02-10 2012-02-14 21:30:15 by stewart1922
[Vasp&Me ] [已完结]Si 表面吸附问题 (0/304) yyzhu027 2012-02-14 2012-02-14 15:49:06 by yyzhu027
[Vasp&Me ] [已完结]有关晶体常数的审稿意见。 (5/1371) cenwanglai 2012-02-13 2012-02-13 20:37:29 by franch
[Vasp&Me ] [已完结]关于vasp能量 (0/197) xiaoboy185 2012-02-13 2012-02-13 16:32:00 by xiaoboy185
[Vasp&Me ] 【分享】vasp2cif.f90 for vasp5.2 (4/1931) lightgjx 2010-11-30 2012-02-13 10:43:52 by wujiandongde
[Vasp&Me ] [已完结]请教关于MedeA的问题 (2/335) hwf70513012 2012-02-12 2012-02-12 18:41:31 by hwf70513012
[Vasp&Me ] [已完结]vasp选择isif = 3的时候 收敛慢 (2/729) xiaoboy185 2012-02-10 2012-02-12 16:44:26 by navyzhang
[Vasp&Me ] [已完结]opnempi安装问题 (3/1165) shelay 2012-02-11 2012-02-12 12:35:51 by souledge
[Vasp&Me ] [已完结]HSE06算能带 (7/2718) crante 2012-02-07 2012-02-11 20:36:41 by liliangfang
[Vasp&Me ] [已完结]急求VASP中NELECT设置问题? (2/3213) gaofenglili 2012-02-10 2012-02-10 16:42:39 by WDD880227
[Vasp&Me ] [已完结]总能VS纳米线长度,为什么是台阶状的? (5/1009) Gina88 2012-02-07 2012-02-10 13:12:45 by 贺仪
[Vasp&Me ] [已完结]施压结构优化问题 (2/297) mazuju028 2012-01-11 2012-02-10 09:09:41 by sunyang1988
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