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[热点] 现代”学阀”该如何界定 iaeyuan 2026-09-25 刚刚
[Vasp&Me ] [已完结]HSE06算能带 (7/2913) 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？ (2/3291) 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？ (5/1214) 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 (2/353) mazuju028 2012-01-11 2012-02-10 09:09:41 by sunyang1988
[Vasp&Me ] [已完结]请教有关一篇文献的问题 (2/481) stewart1922 2012-02-03 2012-02-04 14:29:41 by stewart1922
[Vasp&Me ] 算表面吸附的ISMEAR和EDIFFG (1/424) fengangelo 2012-02-03 2012-02-04 13:14:59 by uuv2010
[Vasp&Me ] [已完结]分波态密度如何画？ (4/2078) fly_elephan 2011-10-26 2012-02-02 08:47:37 by liu_gang
[Vasp&Me ] 请问VASP5.2的POTCAR还需要按照POSCAR的原子顺序来么？ (评阅-42) (5/2638) vodka 2011-08-05 2012-02-02 06:07:28 by csuboyle
[Vasp&Me ] [已完结]想算电荷密度，问些问题 (4/1005) fengangelo 2012-01-30 2012-01-31 20:47:19 by fengangelo
[Vasp&Me ] [已完结]求助 (6/2283) bjmaowei25 2012-01-27 2012-01-31 11:23:26 by bjmaowei25
[Vasp&Me ] 精华I:  【原创】用GaussView可视化VASP的结构优化过程 (26/7679) neweroica 2010-01-13 2012-01-29 18:39:23 by 独唱团
[Vasp&Me ] [已完结]请教一下用VASP计算振动频率的问题 (2/1131) fengyuzhi 2012-01-21 2012-01-28 20:59:23 by dxcharlary
[Vasp&Me ] [已完结]ERROR: the following files does not exist POSCAR    ( 1 2 ) (14/2955) bjmaowei25 2012-01-13 2012-01-27 15:52:07 by enola
[Vasp&Me ] [已完结]neb运行出错 (2/422) lhyhover 2012-01-27 2012-01-27 01:35:19 by longwave
[Vasp&Me ] [已完结]VASP输入文件 (0/383) csuboyle 2012-01-25 2012-01-25 18:45:41 by csuboyle
[Vasp&Me ] [已完结]关于vaspkit (2/2394) xiaoboy185 2012-01-18 2012-01-24 17:41:49 by 灯塔守望者
[Vasp&Me ] [已完结]费米能级下0.5eV内的电荷密度图 (4/1632) chiqiong 2012-01-10 2012-01-24 00:09:46 by souledge
[Vasp&Me ] [已完结]vasp优化 (2/674) xiaoboy185 2012-01-22 2012-01-23 12:59:32 by Joannaouc
[Vasp&Me ] [已完结]请问大家 谁有最新的关于介绍graphene 和GNR的review？发个链接就可以 多谢了 (1/531) stewart1922 2012-01-17 2012-01-17 18:32:32 by valenhou001
[Vasp&Me ] [已完结]CNEB收敛到0.05后，提高精度不收敛 (2/779) cenwanglai 2011-09-27 2012-01-16 12:46:20 by cenwanglai
[Vasp&Me ] [已完结]ENCUT and KPOINTS problems (4/696) xx2008 2012-01-12 2012-01-16 12:17:03 by hookah
[Vasp&Me ] [已完结]求vasp计算流程图 (2/2265) uuv2010 2012-01-14 2012-01-14 17:42:03 by uuv2010
[Vasp&Me ] [已完结]vasp分子动力学NVE (4/3112) egogg 2012-01-11 2012-01-13 12:32:51 by cenwanglai
[Vasp&Me ] 【求助】vasp错误，求助 (19/2902) qian8505 2010-12-21 2012-01-13 12:28:01 by wenchenai
[Vasp&Me ] [已完结]总能增1eV,需要外加多大的电场？ (6/1993) cyxlcd 2012-01-06 2012-01-12 21:04:42 by cyxlcd
[Vasp&Me ] [已完结]求助：如何快速画出能带图 (2/1994) 虎乙红霉素片 2011-12-09 2012-01-12 13:44:34 by uuv2010
[Vasp&Me ] [已完结]陶瓷材料弹性系数的测量方法和仪器 (0/263) wq85384924 2012-01-12 2012-01-12 13:11:11 by wq85384924
[Vasp&Me ] [已完结][关贴]【求助成功】本人新手，求助一个计算实例问题，谢谢 (3/2034) stephenew 2012-01-10 2012-01-12 09:54:13 by stephenew
[Vasp&Me ] [已完结]请问，某条能带上的载流子浓度应该怎么计算啊？ (1/1183) Gina88 2012-01-11 2012-01-12 08:59:05 by lbing9002
[Vasp&Me ] [已完结]画能带时遇到奇怪的问题---帮忙看下吧    ( 1 2 ) (14/2565) wydzyx2003 2012-01-05 2012-01-12 08:54:11 by laplacetalor
[Vasp&Me ] [已完结]关于BRIONS problems的问题 (3/2198) tangtiecheng 2011-12-27 2012-01-11 17:33:13 by gougou531
[Vasp&Me ] [已完结]计算报错了， 如何终止，删除这个任务？ (9/5713) fengangelo 2012-01-10 2012-01-11 13:30:17 by Joannaouc
[Vasp&Me ] [已完结]pbs脚本可否提交新的pbs脚本任务？ (5/1965) tider 2012-01-09 2012-01-11 08:41:15 by 贺仪
[Vasp&Me ] 固体理论里的APW（缀加平面波方法）和vasp里的PAW方法是什么关系呢？ (9/3481) lbing9002 2012-01-09 2012-01-11 08:32:12 by lihb734
[Vasp&Me ] [已完结]如果计算单个Al3+离子的能量 (0/455) phys 2012-01-10 2012-01-10 18:32:58 by phys
[Vasp&Me ] [已完结]截止能 (2/650) chengliping 2011-12-30 2012-01-10 12:52:12 by chengliping
[Vasp&Me ] [已完结]1*1*1和2*2*2结果不一样 (评阅-4) (5/1415) qianbj2006 2012-01-09 2012-01-10 12:11:48 by identation
[Vasp&Me ] [已完结]装VASP中遇到的问题 (2/488) xmr0125 2011-11-03 2012-01-10 09:19:43 by xmr0125
[Vasp&Me ] [已完结]vasp跨节点运行出错，mpiexec_node-1 (handle_stdin_input 1089) (5/3799) 04nylxb 2012-01-08 2012-01-09 22:21:18 by uuv2010
[Vasp&Me ] [已完结][关贴](求助完成)vasp总能VS长度图，问题出在哪里啊？ (5/1119) Gina88 2011-12-23 2012-01-09 08:07:29 by bingmou
[Vasp&Me ] 一本讲DFT 的书，例子都是用VASP算的，如有重复请见谅    ( 1 2 ) (12/3232) huangll99 2012-01-06 2012-01-08 08:25:26 by fangyongxinxi
[Vasp&Me ] [已完结]vasp自洽得到的波函数文件WAVECAR的后处理 (2/918) ljzhou86 2012-01-07 2012-01-07 18:58:41 by fzx2008
[Vasp&Me ] H2O的计算 (3/1552) kmw.8668 2012-01-05 2012-01-07 15:24:43 by kmw.8668
[Vasp&Me ] 【求助】计算ZnO时。O原子赝势有好多，应该怎么取呢 (4/823) tider 2011-04-09 2012-01-06 15:58:17 by sunyulong
[Vasp&Me ] 怎么查看电荷有序态？ (0/530) nkleof 2012-01-05 2012-01-05 20:21:37 by nkleof
[Vasp&Me ] 【求助】vasp计算簇模型态密度问题 (5/1716) intro987 2011-03-23 2012-01-05 17:40:06 by huangll99
[Vasp&Me ] [已完结]反铁磁 (5/1926) hexiujie 2012-01-03 2012-01-05 14:05:02 by hexiujie
[Vasp&Me ] [已完结]关于态密度和自旋电荷密度的设置 (2/1359) guodonglin 2011-12-02 2012-01-05 12:33:05 by guodonglin
[Vasp&Me ] [已完结]VASP计算磁性金属 (4/1953) gtssongchi 2011-12-13 2012-01-05 08:52:26 by gtssongchi
[Vasp&Me ] negative-U (3/1236) 轻轻飘过之 2012-01-03 2012-01-04 18:02:22 by 轻轻飘过之
[Vasp&Me ] [已完结]关于用vasp优化一维纳米带几何结构和计算能带时的磁性不一致的问题 (0/431) stewart1922 2012-01-03 2012-01-03 20:42:13 by stewart1922
[Vasp&Me ] [已完结]Mo3+ (0/284) hadone 2012-01-03 2012-01-03 15:01:20 by hadone
[Vasp&Me ] [已完结]原子磁矩哪里找呢 (1/496) xiaoxiao136 2011-12-28 2012-01-02 16:42:33 by fanarsenal
[Vasp&Me ] [已完结]关于vasp计算自旋轨道耦合的问题 (4/2392) likai0106 2011-10-21 2012-01-02 11:07:23 by zhang668
[Vasp&Me ] [已完结]【求助成功】请教GW方法计算能带结构的几个问题？    ( 1 2 ) (11/1903) liddrr 2011-10-11 2012-01-01 17:33:05 by liddrr
[Vasp&Me ] [已完结]计算电脑配置，帮忙看看    ( 1 2 ) (12/2058) shelay 2011-12-30 2012-01-01 09:27:33 by aaq2800
[Vasp&Me ] 【求助】差分电荷密度分析 (7/2691) wanglei200 2011-03-01 2011-12-31 20:00:29 by rainywrn
[Vasp&Me ] 【求助】紧急求教读取CHGCAR的matlab脚本，谢谢 (2/1056) 雁儿霏霏 2011-01-15 2011-12-30 22:59:32 by 09njtpw
[Vasp&Me ] [已完结]VESTA的颜色条如何编辑 (0/1383) tt-0-8 2011-12-30 2011-12-30 22:51:37 by tt-0-8
[Vasp&Me ] vasp运算过程中无报错断开，急求助！ (5/1689) dwd0826 2011-12-29 2011-12-30 21:48:32 by llh2010
[Vasp&Me ] [已完结]紧急求助vasp5.2 计算氧化铈表面吸附遇到的若干问题 (4/2573) 流浪猫8386 2011-12-28 2011-12-30 19:09:55 by zhuzisummer
[Vasp&Me ] [已完结]用ｖａｓｐ计算Ｃａ２ＩｒＨ６时出现的问题 (8/1188) zsl_321123 2011-12-28 2011-12-29 15:29:34 by zsl_321123
[Vasp&Me ] [已完结]hybrid（PBE0） INCAR设置 POTCAR设置 (评阅+2) (3/2322) guoshukuan 2011-12-27 2011-12-29 11:20:20 by guoshukuan
[Vasp&Me ] [已完结]超晶胞 计算 (4/795) chengliping 2011-12-28 2011-12-29 08:23:15 by chengliping
[Vasp&Me ] 提取VASP的波函数，画出按角动量着色的绚丽能带结构 (评阅+2) (8/3604) cenwanglai 2011-12-28 2011-12-29 00:01:07 by NKDMS
[Vasp&Me ] [已完结]VASP能带计算中高对称点设置的问题 (1/1694) nicolemikeyi 2011-12-27 2011-12-27 16:39:07 by fzx2008
[Vasp&Me ] [已完结]请教VESTA里面能否像MS一样吸附金属以CPK显示吸附小分子用球棍模型显示？ (7/3142) 04nylxb 2011-11-17 2011-12-27 14:59:59 by gougou531
[Vasp&Me ] [已完结]vesta显示后，和一个Si原子相连的键居然可以有5个？ (2/1359) Gina88 2011-08-18 2011-12-27 14:52:41 by gougou531
[Vasp&Me ] 【求助】离子步迭代118步才收敛是否正常？ (8/3180) calos818 2010-09-18 2011-12-26 16:41:57 by fzx2008
[Vasp&Me ] [已完结][关贴]求助vasp中的自旋轨道耦合 (3/2987) fzx2008 2011-12-01 2011-12-26 15:21:07 by fzx2008
[Vasp&Me ] [已完结]分波态密度的计算问题？ (3/1379) mazuju028 2011-12-25 2011-12-26 15:09:36 by iamikaruk
[Vasp&Me ] [已完结]vasp5.2 优化vasp4.6 优化过的结构不收敛 (5/1800) gaojunfeng83 2011-08-24 2011-12-25 16:46:55 by guoshukuan
[Vasp&Me ] 缺陷形成能图的讨论 (1/692) 轻轻飘过之 2011-12-24 2011-12-24 20:02:04 by 轻轻飘过之
[Vasp&Me ] [已完结]紧急求助关于磁性的问题 (1/312) viebn 2011-12-23 2011-12-23 20:02:00 by viebn
[Vasp&Me ] [已完结]关于静态自洽，为什么朋友们都不用弛豫的来的WAVECAR、 CHGCAR呢？ (2/864) dyc_2008 2011-12-23 2011-12-23 15:31:53 by cenwanglai
[Vasp&Me ] [已完结]急求vasp完整赝势文件库 (1/734) maomao-666 2011-12-22 2011-12-22 17:03:58 by liliangfang
[Vasp&Me ] [已完结]低自旋多重度对应体系能量更低 (5/1747) zhoudayan2 2011-12-19 2011-12-21 19:21:14 by mengfc
[Vasp&Me ] [已完结]一百多个原子，用GW或HSE算带隙需要什么样的配置？ (3/1590) mazuju028 2011-12-20 2011-12-21 18:47:38 by windring
[Vasp&Me ] 计算含缺陷晶胞时的ISIF的设置问题 (4/2361) 轻轻飘过之 2011-12-20 2011-12-21 09:57:50 by 轻轻飘过之
[Vasp&Me ] [已完结][关贴]差分电荷密度作图 (1/793) guitar2033 2011-12-20 2011-12-20 22:52:52 by fzx2008
[Vasp&Me ] [已完结]关于Reverse Monte Carlo (7/1887) xiaoboy185 2011-12-08 2011-12-20 17:58:51 by yorckzhang
[Vasp&Me ] [已完结]八面体畸变后的空间群 (4/1554) hadone 2011-12-19 2011-12-20 13:05:32 by songfoo
[Vasp&Me ] [已完结]Vasp4.6安装相关的数据库可以升级吗 (1/329) longchang 2011-12-20 2011-12-20 11:09:17 by liliangfang
[Vasp&Me ] [已完结]如何计算电子转移？ (1/1140) fly_elephan 2011-12-19 2011-12-19 15:48:50 by jiewei
[Vasp&Me ] [已完结]掺杂位置和MAGMOM问题 (0/663) llg1987 2011-12-19 2011-12-19 14:41:46 by llg1987
[Vasp&Me ] [已完结]为什么优化之后CONTCAR中少一个原子 (4/1546) xx2008 2011-12-18 2011-12-19 08:16:26 by xx2008
[Vasp&Me ] [已完结]vasp OUTCAR中的费米能级是哪个？ (2/5855) lascqy 2011-12-14 2011-12-17 21:28:36 by ffzx
[Vasp&Me ] [已完结]Ni(111) (2×2)-2H是什么意思？ (2/535) thelrgbird 2011-12-16 2011-12-16 17:06:58 by thelrgbird
[Vasp&Me ] [已完结]包含自旋的GGA+U的能带计算流程问题 (2/1209) mazuju028 2011-12-16 2011-12-16 16:49:17 by buct2010
[Vasp&Me ] [已完结]结构优化参数设置 (6/1878) xiaoboy185 2011-12-15 2011-12-16 16:26:16 by xiaoboy185
[Vasp&Me ] [已完结]SIGMA的单位是什么 (7/3978) ustbwgs 2011-05-31 2011-12-16 16:11:35 by lascqy
[Vasp&Me ] [已完结]Vasp&MedeA软件的学习教程 (0/1377) mengchouchou 2011-12-16 2011-12-16 15:49:03 by mengchouchou
[Vasp&Me ] [已完结]NEB方法找过渡态时，有多个原子移动，可以么 (1/849) jiehade123 2011-12-16 2011-12-16 14:52:20 by 贺仪
[Vasp&Me ] [已完结]求过渡金属氧化物中O2p +U修正参数 (1/496) cenwanglai 2011-12-16 2011-12-16 14:41:54 by 贺仪
[Vasp&Me ] [已完结]vasp 杂化泛函HSE 它怎么就不run涅？    ( 1 2 ) (12/5283) songbone 2011-12-14 2011-12-16 12:41:11 by liliangfang
[Vasp&Me ] [已完结]使用VASP怎么计算超胞每层所受的应力？ (0/448) zhanganping 2011-12-16 2011-12-16 10:31:30 by zhanganping
[Vasp&Me ] [已完结]VASP计算缺陷形成能是否还要对帯隙进行修正？ (5/3152) 轻轻飘过之 2011-12-15 2011-12-16 09:54:25 by 轻轻飘过之
[Vasp&Me ] [已完结]请问下高温熔化状态和淬火过程分别应该选择什么样的系综 (0/383) 正月圆月 2011-12-16 2011-12-16 09:17:13 by 正月圆月
[Vasp&Me ] Vasp参数不解 (9/1106) dwd0826 2011-12-15 2011-12-16 08:24:40 by future_wl
[Vasp&Me ] [已完结]能隙的计算 (1/578) 轻轻飘过之 2011-12-15 2011-12-15 22:55:03 by uuv2010
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