24小时热门版块排行榜    

管理团队 (金币库 94062.1 充值 )

主管区长:
月只蓝小红豆
主管版主:
漫天飘雪蛋蛋小童鞋franch

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 退学或坚持读 难忘2018 2026-02-01 刚刚
[Vasp&Me ] [已完结]关于La原子+U的问题 (2/948) mazuju028 2013-05-25 2013-05-25 17:50:42 by KalaShayminS
[Vasp&Me ] 关于元素参杂,在引起体系引入孤电子的问题 (8/984) enola 2013-05-23 2013-05-25 17:47:41 by KalaShayminS
[Vasp&Me ] 【求助】布居分布的相关求助 (10/2267) fulin 2011-04-13 2013-05-25 14:06:47 by cuicui2397
[Vasp&Me ] 【求助】VASP中Zn的化学势是多少? (15/3865) bingmou 2011-03-01 2013-05-25 06:54:12 by gongjijun
[Vasp&Me ] 某些单质晶体的性质大家是如何获取的呢 (5/1148) tider 2011-05-01 2013-05-25 06:52:45 by pengliusss
[Vasp&Me ] [已完结]【求助】关于VASP计算材料的晶格热导率 (8/4712) ustbmars 2011-07-20 2013-05-25 05:16:29 by gswylq
[Vasp&Me ] [已完结]怎样解释电子为什么没有被计划? (0/147) zhlhhc 2013-05-24 2013-05-24 21:13:19 by zhlhhc
[Vasp&Me ] [已完结]离子液体模拟 (1/791) hanyulun 2013-05-24 2013-05-24 14:31:32 by tianlangxingaa
[Vasp&Me ] vasp中做利用NEB或者 Cl-NEB做动力学 需要怎样的计算机配置呢? (14/1862) xingyexue 2013-05-20 2013-05-24 12:35:14 by enola
[Vasp&Me ] [已完结]求助算稀土镧元素的晶体总能的incar怎么编辑,正确后还可再加25金币 (0/281) xiaoyaobeiji 2013-05-24 2013-05-24 09:51:01 by xiaoyaobeiji
[Vasp&Me ] [已完结]关于vasp计算磁性结构的问题 (4/1292) lizeqian 2011-04-20 2013-05-24 07:40:03 by 随便注册
[Vasp&Me ] [已完结]体系电子数和DOSCAR中积分的电子数不一样是怎么回事啊? (4/1561) Gina88 2012-12-20 2013-05-24 06:54:54 by Gina88
[Vasp&Me ] [已完结]VASP集群计算E-V (0/285) wuyecug 2013-05-23 2013-05-23 18:22:12 by wuyecug
[Vasp&Me ] 自洽时没设置LAECHG=.TRUE.,还能用bader分析电荷吗? (2/1746) 春华秋实2020 2013-05-23 2013-05-23 17:49:29 by 春华秋实2020
[Vasp&Me ] [已完结]求助:求助几篇用ELF图解释电子局域问题的文献。 (0/191) zhlhhc 2013-05-23 2013-05-23 09:22:33 by zhlhhc
[Vasp&Me ] VASP5.3.2大内存崩溃的解决方案 (9/2543) y1ding 2012-11-30 2013-05-23 06:52:02 by y1ding
[Vasp&Me ] [已完结]如何从EIGENVAL文件中读取带隙,求教 (8/3432) lzlgcdc 2013-05-22 2013-05-23 00:39:00 by KalaShayminS
[Vasp&Me ] 为什么这个VESTA的2D面试斜的呢,怎样调整变成四方的呢? (2/730) zhlhhc 2013-05-22 2013-05-22 19:35:35 by liyong.gan
[Vasp&Me ] Eatom 和Esolid有什么区别? (0/1130) 呜呜哗啦 2013-05-22 2013-05-22 16:19:52 by 呜呜哗啦
[Vasp&Me ] [已完结]大家帮忙看一下这个电荷密度    ( 1 2 ) (19/1844) wangdading 2013-05-14 2013-05-22 11:12:01 by wangdading
[Vasp&Me ] [已完结]split-dos分割完DOSCAR (0/423) zhouyj999 2013-05-22 2013-05-22 09:08:13 by zhouyj999
[Vasp&Me ] [已完结]请问下用vasp计算稀土元素的单质的incar怎么编辑,稀土中任何一个元素都行 (8/1654) xiaoyaobeiji 2013-04-27 2013-05-22 08:35:34 by xiaoyaobeiji
[Vasp&Me ] [已完结]稀土镧元素的晶格结构,求助!!!! (1/392) xiaoyaobeiji 2013-05-21 2013-05-21 16:16:04 by 未来5885
[Vasp&Me ] [已完结]求助 :VASP中怎么实现真空层添加一个偶极距 (0/729) gbasp2003 2013-05-21 2013-05-21 14:48:40 by gbasp2003
[Vasp&Me ] [已完结]通过什么方法可以解释电子的局域性? (0/1544) zhlhhc 2013-05-21 2013-05-21 10:44:34 by zhlhhc
[Vasp&Me ] [已完结]虚心求教:怎样用OriginPro 8 画如图2的能带图? (9/3022) zhlhhc 2013-03-27 2013-05-20 17:36:47 by llllllllllll
[Vasp&Me ] [已完结]vasp中给晶格加恒定静水压力优化问题 (0/1268) wang-lf09 2013-05-20 2013-05-20 15:34:14 by wang-lf09
[Vasp&Me ] [已完结]如何用vasp的计算结果画出 fat band (4/3112) 小木虫于 2012-10-15 2013-05-20 14:59:22 by llllllllllll
[Vasp&Me ] [已完结]态密度计算问题 (3/546) will_123 2013-05-13 2013-05-20 10:40:10 by 缺心眼桌
[Vasp&Me ] [已完结]静态自洽计算能量时EDIFFG的问题    ( 1 2 ) (1ST强帖+1)(14/3633) 缺心眼桌 2011-05-04 2013-05-20 06:22:12 by 缺心眼桌
[Vasp&Me ] [已完结]能带计算设置求教 (8/1163) lzlgcdc 2013-05-17 2013-05-20 01:03:42 by lzlgcdc
[Vasp&Me ] 限制磁矩方向 constraint field (13/1500) umklapp 2013-05-16 2013-05-18 17:31:17 by haixiawu
[Vasp&Me ] [已完结]vasp 编译问题 (4/802) 真情无价108 2013-04-08 2013-05-18 12:04:43 by 动画片
[Vasp&Me ] [已完结]VASP安装安装的问题 (4/1009) XuChengyong 2013-05-17 2013-05-18 03:09:18 by XuChengyong
[Vasp&Me ] [已完结]弹性常数计算 (0/995) 贝芷苡 2013-05-17 2013-05-17 21:39:19 by 贝芷苡
[Vasp&Me ] [已完结]VASP 计算石墨烯周期边界加真空吗? (2/425) 春华秋实2020 2013-05-17 2013-05-17 20:20:46 by iamguoxi
[Vasp&Me ] [已完结]能带带隙如何查看,求教    ( 1 2 ) (10/4571) lzlgcdc 2013-04-30 2013-05-17 11:14:36 by lzlgcdc
[Vasp&Me ] [已完结]【求助】VASP5.2 编译出错make (0/1386) xs1258 2013-05-17 2013-05-17 11:10:22 by xs1258
[Vasp&Me ] [已完结]并行计算 (1/242) 贝芷苡 2013-05-17 2013-05-17 10:59:27 by 贝芷苡
[Vasp&Me ] [已完结]怎样用VESTA做ELFCAR的图? (0/724) zhlhhc 2013-05-17 2013-05-17 10:36:11 by zhlhhc
[Vasp&Me ] 如何用第一性原理对晶界进行拉伸? (5/1472) lijuanshu 2013-05-16 2013-05-17 08:43:18 by KalaShayminS
[Vasp&Me ] [已完结]NiTi B19'相拟合Brich-Murnaghan状态方程的参数值B' (4/874) losenq 2012-09-20 2013-05-17 07:20:33 by paopaotu326
[Vasp&Me ] [已完结]vasp5.2计算E-V曲线 (6/1699) yi315730581 2012-05-03 2013-05-16 08:33:21 by fjfuzhou
[Vasp&Me ] VASP中采用GGA+U或LDA+U计算弹性常数,U值对弹性常数影响大吗 (6/1221) zh2627005 2013-05-10 2013-05-16 02:42:48 by umklapp
[Vasp&Me ] 【求助】如何限制磁矩方向    ( 1 2 3 ) (21/3700) 含草 2010-10-06 2013-05-16 02:10:01 by umklapp
[Vasp&Me ] [已完结]问磁化的一个单位:emu/gr (4/1189) byin 2013-05-13 2013-05-15 13:33:22 by byin
[Vasp&Me ] [已完结]vasp编译出问题了。。。求助啊 (1/515) 真情无价108 2013-05-15 2013-05-15 11:24:59 by likai0106
[Vasp&Me ] [已完结]vasp计算时,优化和应力应变计算出问题了 (1/1810) 0icecream 2013-05-14 2013-05-15 08:15:47 by 171713294
[Vasp&Me ] [已完结]vasp如何计算铁电体的berry phase (8/2991) gougou531 2012-07-11 2013-05-15 05:20:23 by future_wl
[Vasp&Me ] [已完结]BiFeO3的DOS問題 (4/1001) egg19900805 2013-05-13 2013-05-14 19:56:23 by iamikaruk
[Vasp&Me ] [已完结]DOS图分析,怎么费米能及在0上呢 (9/1764) 1051358187 2013-05-13 2013-05-14 16:23:56 by 1051358187
[Vasp&Me ] 【求助】关于锂原子vasp计算后的1s2s2p分波态密度处理    ( 1 2 ) (12/3134) 雁儿霏霏 2010-05-05 2013-05-14 12:59:17 by 拨云见日no1
[Vasp&Me ] [已完结]用vasp如何计算声子谱 (1/696) wpzl4181005 2013-05-13 2013-05-13 21:52:50 by 171713294
[Vasp&Me ] [已完结]固定C軸 鬆弛A B軸 的方法 (2/512) egg19900805 2013-05-13 2013-05-13 20:11:00 by egg19900805
[Vasp&Me ] [已完结]掺杂后的杂质能级应该算在价带还是导带呢?或者……求教    ( 1 2 ) (11/2300) lzlgcdc 2013-05-08 2013-05-13 14:47:26 by gkf高
[Vasp&Me ] [已完结]高对称点的选取 (1/964) 荷西树 2013-05-13 2013-05-13 14:27:03 by 荷西树
[Vasp&Me ] 【求助】求vasp4.6手册及coop计算问题 (6/2368) xiaosi8758 2010-05-09 2013-05-13 13:36:00 by anuil
[Vasp&Me ] [已完结]求一篇关于半导体掺杂后讨论带隙变化的文章 (2/1000) lzlgcdc 2013-05-09 2013-05-13 10:23:34 by gkf高
[Vasp&Me ] [已完结][关贴]【重新开帖】KPOINTS的测试脚本问题 (2/1028) GTF1902 2013-05-12 2013-05-13 10:01:00 by GTF1902
[Vasp&Me ] 关于HSE06和光性质的若干问题的争议解决方案    ( 1 2 3 ) (20/1972) wuli8 2013-04-07 2013-05-13 09:38:13 by shirley8295
[Vasp&Me ] [已完结]VASP算光学性质 (3/1117) 苦行客 2013-05-12 2013-05-12 12:51:23 by 171713294
[Vasp&Me ] [已完结]VASP软件使用 (6/1060) xixiboy123 2013-05-09 2013-05-12 10:57:10 by cuicui2397
[Vasp&Me ] 【其他】第一性原理做有序-无序相变(讨论帖) (4/926) qiqi2926 2010-11-07 2013-05-11 19:11:24 by iamikaruk
[Vasp&Me ] [已完结]限制磁矩方向Constraining the direction of magnetic moments (6/1227) uuv2010 2012-03-01 2013-05-10 12:13:48 by 贝芷苡
[Vasp&Me ] [已完结]under pressure 和 under strain 分别代表什么呢? (0/870) pariah 2013-05-10 2013-05-10 11:31:05 by pariah
[Vasp&Me ] [已完结]vasp提交作业问题 syntax error: (2/335) 赵聪怡 2013-05-08 2013-05-09 18:32:20 by fanarsenal
[Vasp&Me ] 形成能怎么算? (7/1918) 呜呜哗啦 2013-05-06 2013-05-09 15:23:54 by 呜呜哗啦
[Vasp&Me ] 表面吸附模拟 结构优化 (5/1151) kobe6777 2013-05-06 2013-05-09 10:43:13 by 171713294
[Vasp&Me ] 大家知道暑假有基础VASP培训班没有啊? (3/855) aibude163 2013-05-06 2013-05-09 08:53:36 by babaleo
[Vasp&Me ] [已完结]怎么在VASP结果中得到各个原子的化合价呀!谢谢 (1/1673) 1051358187 2013-05-08 2013-05-09 08:21:51 by 171713294
[Vasp&Me ] [已完结]WAVECAR 和 CHGCAR 沒有產生 (5/1313) egg19900805 2013-05-07 2013-05-08 15:48:51 by zjzphy
[Vasp&Me ] [已完结]vasp5.2光学性质计算的疑问 (5/1838) chenxin1992 2013-04-03 2013-05-08 13:06:19 by fly_elephan
[Vasp&Me ] [已完结]LORBIT参数如何设置 (1/1254) zhouyj999 2013-05-08 2013-05-08 08:18:45 by 171713294
[Vasp&Me ] [已完结]掺杂后带隙如何计算,求指导 (5/938) lzlgcdc 2013-05-07 2013-05-07 21:16:53 by lzlgcdc
[Vasp&Me ] [已完结]VASP 磁矩 mag跟OUTCAR最后total 不相等?? (6/2085) lu_wei07 2013-05-05 2013-05-07 16:14:01 by HCH_Deven
[Vasp&Me ] [已完结]50金币求助钛酸锶(STO)光学性质vasp计算结果 (2/604) 无比小菜鸟 2013-05-06 2013-05-07 06:45:35 by 无比小菜鸟
[Vasp&Me ] [已完结]DOS态密度作图 (4/2831) kobe6777 2013-05-06 2013-05-07 05:43:49 by gaolugang
[Vasp&Me ] [已完结][关贴]vasp模拟拉伸时的应力应变曲线问题 (0/2904) zyren123 2013-05-06 2013-05-06 13:37:26 by zyren123
[Vasp&Me ] [已完结]单机编译安装vasp求指导    ( 1 2 ) (10/2593) zzzaqxq 2013-04-30 2013-05-06 07:41:07 by liliangfang
[Vasp&Me ] [已完结]为何计算的形成能偏高 (1/515) hy1987007 2013-04-08 2013-05-05 17:34:27 by mumu216
[Vasp&Me ] [已完结]做掺杂的话晶格的角度要优化吗? (1/924) vodka 2013-05-05 2013-05-05 15:48:08 by vodka
[Vasp&Me ] [已完结]Pd晶胞 (0/380) LLaiYY 2013-05-05 2013-05-05 11:46:14 by LLaiYY
[Vasp&Me ] 【求助】界面或表面的参数设置 (4/515) liluyan 2010-07-14 2013-05-05 07:38:23 by wanjiayu0116
[Vasp&Me ] [已完结]请问vasp结果怎么做电荷分析 (0/961) zsjan 2013-05-04 2013-05-04 15:24:47 by zsjan
[Vasp&Me ] [已完结]在做Cu2O的表面弛豫 弱弱地问一句POSCAR中Cu2O的原胞基矢应该怎么写? (1/348) 苦逼牛逼 2013-05-03 2013-05-04 08:54:55 by 171713294
[Vasp&Me ] 谁能帮我解释这些设置 (4/928) 370108316 2013-04-27 2013-05-03 11:26:47 by 370108316
[Vasp&Me ] [已完结][关贴]初学vasp,编译vasplib出错------dlexlib.f (7/1857) victemww 2013-05-02 2013-05-03 10:39:59 by victemww
[Vasp&Me ] [已完结]反铁磁性计算 (7/1198) wpzl4181005 2013-04-17 2013-05-03 08:13:09 by wpzl4181005
[Vasp&Me ] [已完结]铁电薄膜的电势分布问题    ( 1 2 3 4 5 6 .. 7 ) (63/2984) byin 2012-05-16 2013-05-03 05:59:57 by wllgnxl99
[Vasp&Me ] [已完结][关贴]关于候老师产生K点的小程序,哪里可以找到使用说明? (1/502) wkfan8988 2013-05-02 2013-05-02 15:07:29 by 阚敏
[Vasp&Me ] [已完结]求助能分开f电子的split-dos? (0/230) zhouyj999 2013-05-02 2013-05-02 12:23:08 by zhouyj999
[Vasp&Me ] [已完结]请教FeO超胞收敛问题 (4/1087) hypnos 2013-03-06 2013-05-02 03:24:54 by identation
[Vasp&Me ] 求一个VASP5.2的启动程序 (3/816) zh2627005 2013-04-28 2013-05-01 14:30:25 by longwen36
[Vasp&Me ] 【求助】关于LORBIT的设置 (7/1877) lgxyz 2010-08-29 2013-05-01 06:50:43 by identation
[Vasp&Me ] [已完结]ELF计算BiFeO3孤对电子的问题    ( 1 2 ) (10/2149) byin 2012-05-21 2013-04-30 07:39:44 by future_wl
[Vasp&Me ] [已完结]石墨烯原胞与超晶胞能带为什么不同 (1/1997) 要坚强 2013-04-26 2013-04-30 00:22:40 by nandagulou
[Vasp&Me ] [已完结]bader分析 (3/971) xiaoluoj 2013-03-20 2013-04-29 10:21:19 by KalaShayminS
[Vasp&Me ] 【求助】有关声子软化的处理 (12/2619) ywyou 2010-12-27 2013-04-29 05:10:34 by identation
[Vasp&Me ] 【求助】MedeA-VASP 计算时老是死机 (9/1848) justinjlc 2011-03-09 2013-04-28 20:29:25 by lilanvlinwei
相关版块跳转
查看