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[热点] 免疫学博士有名额,速联系 VaccineDPI 2026-02-02 刚刚
[Vasp&Me ] [已完结]三个轴不等的情况怎么优化晶格常熟 (2/410) lyylyy1 2013-01-12 2013-01-13 00:34:08 by gavinliu7390
[Vasp&Me ] [已完结]LDOS (4/2083) liuqun 2012-06-27 2013-01-12 17:13:29 by yuraining
[Vasp&Me ] FUKUI 函数和BADER电荷的联系? (3/1219) liufeila 2013-01-10 2013-01-12 08:51:54 by lihb734
[Vasp&Me ] [已完结]vasp 5.2 install 有errors和makefile 和 ifort mpich 运行情况 (1/842) Janus2024 2013-01-12 2013-01-12 02:45:08 by wzbhit
[Vasp&Me ] [已完结]请帮忙看看POSCAR中两个距离太近的原子的坐标怎么改下好 (0/642) anewtry 2013-01-11 2013-01-11 20:55:42 by anewtry
[Vasp&Me ] [已完结]GdN能带结构的计算讨论 (0/204) gougou531 2013-01-11 2013-01-11 10:25:49 by gougou531
[Vasp&Me ] [已完结]bader分析文献求助 (2/398) wuli8 2013-01-10 2013-01-11 10:03:11 by wuli8
[Vasp&Me ] [已完结]态密度计算的是价电子的分布还是全部电子的分布,是否和赝势选取有关 (3/1025) gougou531 2013-01-08 2013-01-11 09:53:27 by gougou531
[Vasp&Me ] [已完结]算能带的feimi能级怎么取 (6/583) lyylyy1 2013-01-08 2013-01-11 09:44:56 by digghost
[Vasp&Me ] 【求助】LDA+U优化问题    ( 1 2 ) (10/2603) LR198612 2010-11-05 2013-01-11 08:04:42 by paopaotu326
[Vasp&Me ] [已完结]有关LDA+U参数设置问题!    ( 1 2 ) (14/3409) haowenping 2012-03-12 2013-01-11 07:46:46 by paopaotu326
[Vasp&Me ] 【求助】ZBRENT给出的是什么信息? (2/2364) keitapsp 2010-04-28 2013-01-10 20:59:19 by yuraining
[Vasp&Me ] [已完结]p4v可视化问题 (6/945) 贝芷苡 2013-01-06 2013-01-10 09:49:54 by yinhanqing
[Vasp&Me ] [已完结]vasp赝势库中镧系元素有后缀“_3”或是“_2”的是什么意思? (6/2505) mazuju028 2012-03-20 2013-01-10 07:01:51 by 呜呜哗啦
[Vasp&Me ] 自旋极化和自旋非极化 (2/1030) kobe6777 2013-01-09 2013-01-09 23:06:23 by kobe6777
[Vasp&Me ] [已完结]ENCUT测试    ( 1 2 ) (12/2378) xiaoluoj 2013-01-09 2013-01-09 22:04:28 by emilyoyang
[Vasp&Me ] [已完结]用VASP+phonopy算声子时如何设hexagonal下的超胞 (1/419) 刘仕晨 2012-12-26 2013-01-09 11:27:41 by 刘仕晨
[Vasp&Me ] 笛卡尔坐标如何转换为Direct坐标? (5/2378) 呜呜哗啦 2013-01-08 2013-01-08 15:57:27 by 呜呜哗啦
[Vasp&Me ] 笛卡尔坐标优化完之后变成了direct坐标,为什么? (2/624) 呜呜哗啦 2013-01-08 2013-01-08 15:55:58 by 呜呜哗啦
[Vasp&Me ] [已完结]BaTiO3 GGA/LDA+U U=? (1/520) tuhaidan 2013-01-07 2013-01-08 11:45:18 by VASP2010
[Vasp&Me ] VASP计算的石墨烯态密度,费米能设为0,发现费米能处的态密度值不为0 (5/2106) mitong 2013-01-07 2013-01-07 21:19:01 by mitong
[Vasp&Me ] [已完结]几种原子组成的体系怎么选择赝势 (0/344) 707462558 2013-01-07 2013-01-07 16:36:52 by 707462558
[Vasp&Me ] [已完结]做结构优化和做静态计算能量不一致 (7/1857) thelrgbird 2012-07-31 2013-01-07 13:07:24 by sunflower_12
[Vasp&Me ] [已完结]VASP中LDA+U确定U值时,Uout从哪里读出来? (2/944) paopaotu326 2012-12-30 2013-01-06 07:58:55 by paopaotu326
[Vasp&Me ] [已完结]properties 计算 (7/2448) yoyo103108 2011-12-13 2013-01-06 06:00:55 by xwangan
[Vasp&Me ] [已完结]为什么在计算berry phase的时候OUTCAR里面没有<R>bp项? (0/436) yayanoba 2013-01-05 2013-01-05 21:24:05 by yayanoba
[Vasp&Me ] [已完结]请问POSCAR中的坐标系是什么意思 (6/2025) kaixnjb 2012-12-18 2013-01-05 12:08:06 by 旭旭宝宝
[Vasp&Me ] [已完结]能带计算时无法设置NBANDS,各位大侠帮忙看一下! (7/2774) liancsh 2012-02-12 2013-01-05 09:25:49 by 旭旭宝宝
[Vasp&Me ] [已完结]vasp中k点为1的点 (1/503) 楚笑笑生 2013-01-01 2013-01-04 19:37:27 by yuraining
[Vasp&Me ] [已完结]berry phase 电极化值 偏小 如何增大? (7/857) tuhaidan 2012-08-02 2013-01-04 19:31:25 by 阚敏
[Vasp&Me ] [已完结]关于DOS对金属性影响判断的 (1/893) thelrgbird 2013-01-03 2013-01-03 13:41:38 by sunshoutian168
[Vasp&Me ] [已完结]encut 测试结果怎么取 (7/1561) 707462558 2013-01-02 2013-01-03 12:07:42 by bill686433
[Vasp&Me ] [已完结]vasp 计算单分子/原子 时晶胞大小的选取 (6/2939) rustboy 2012-12-30 2013-01-03 10:36:48 by hn19870519
[Vasp&Me ] [已完结]求vasp并行时效率怎么检测? (3/924) lzlgcdc 2013-01-01 2013-01-01 10:26:19 by lzlgcdc
[Vasp&Me ] [已完结]截断能的选择 (5/2717) 707462558 2012-12-31 2012-12-31 18:28:30 by emilyoyang
[Vasp&Me ] [已完结]【求助】SIGMA测试的收敛判据啊 (0/479) hythen 2012-12-31 2012-12-31 17:19:23 by hythen
[Vasp&Me ] [已完结]大侠们~本人编译vasp.5.lib过程中遇到如下错误 敢问何解?不胜感激~ (7/1792) 苦逼牛逼 2012-12-29 2012-12-31 15:37:39 by 苦逼牛逼
[Vasp&Me ] [已完结]VASP5.2编译出错求助 恳请指点!不胜感激~ (2/661) 苦逼牛逼 2012-12-30 2012-12-31 11:14:41 by 苦逼牛逼
[Vasp&Me ] [已完结]vasp 如何计算F负离子能量 (0/851) dfjk-123 2012-12-31 2012-12-31 11:13:05 by dfjk-123
[Vasp&Me ] [已完结]如何在模拟薄膜的时候加真空层 (4/1596) sagiterszk 2012-06-22 2012-12-31 08:45:55 by 楚笑笑生
[Vasp&Me ] [已完结]vasp脚本运行问题 (7/1945) huangll99 2012-02-26 2012-12-31 06:02:53 by 豆豆王王
[Vasp&Me ] 关于vasp中ISMEAR参数的几个问题 (6/2467) dwd0826 2011-12-17 2012-12-29 18:29:50 by dwd0826
[Vasp&Me ] [已完结]VASP优化石墨烯时Ismear设置为0可以吗 (5/2418) mitong 2012-12-21 2012-12-29 08:29:48 by 171713294
[Vasp&Me ] 急求解决-计算Fe的cohesive energy (3/1157) dwd0826 2012-04-19 2012-12-29 07:33:23 by liuzhun168
[Vasp&Me ] 计算Fe的超晶胞晶格常数与能量 (4/1445) dwd0826 2011-12-26 2012-12-29 07:31:43 by lxbcsrc
[Vasp&Me ] [已完结]能带和态密度问题 (3/729) lzlgcdc 2012-12-28 2012-12-28 22:56:15 by lzlgcdc
[Vasp&Me ] [已完结]只有选取USPP才能使用split_dos对态密度文件进行分割吗? (0/290) wl7171759 2012-12-26 2012-12-28 15:01:54 by wl7171759
[Vasp&Me ] [已完结]畴结构怎么画 (0/669) anewtry 2012-12-27 2012-12-27 19:49:55 by anewtry
[Vasp&Me ] NEB计算中断,想要接着算该怎么办? (7/1266) lijuanshu 2012-12-25 2012-12-27 19:17:26 by lijuanshu
[Vasp&Me ] [已完结]关于BTO的双势井曲线,请问的我的计算方法是否有误? (8/1093) leonidasn 2012-12-14 2012-12-27 16:09:28 by iamikaruk
[Vasp&Me ] [已完结]金属催化剂的,vasp貌似收敛不了 (4/734) rainyxiao 2012-12-22 2012-12-27 15:05:56 by kobe6777
[Vasp&Me ] [已完结]vasp 计算能带问题 (5/1332) xiehui0608 2012-12-21 2012-12-27 15:02:35 by kobe6777
[Vasp&Me ] [已完结]VAPS费米能级 (4/1067) liuqun 2012-12-25 2012-12-27 10:45:21 by solarman
[Vasp&Me ] [已完结]KPOINTS和OUTCAR中有些不符 请教各位 (2/322) lzlgcdc 2012-12-26 2012-12-27 10:44:46 by lzlgcdc
[Vasp&Me ] [已完结]请教一下周期性结构中K—S方程是怎么建立起来的? (1/185) physicistwp 2012-12-27 2012-12-27 10:34:09 by physicistwp
[Vasp&Me ] [已完结]vasp画能带问题 求教各位 (4/1159) lzlgcdc 2012-12-25 2012-12-26 19:30:47 by lzlgcdc
[Vasp&Me ] [已完结]Grimme的DFT-D2方法中,只列出了周期表前五行元素的C和R的值,其他元素的值怎么算呢? (2/1028) rainxin2008 2012-12-21 2012-12-26 16:22:11 by rainxin2008
[Vasp&Me ] [已完结]电荷密度作图 vasp    ( 1 2 ) (13/1379) lzlgcdc 2012-12-24 2012-12-26 15:50:32 by lzlgcdc
[Vasp&Me ] 用VASP计算NEB都十几天了还不收敛,急啊!!! (8/4822) lijuanshu 2012-12-24 2012-12-26 11:46:39 by 04nylxb
[Vasp&Me ] 最新的 p4vasp for windows 0.3.20 已经发布 (21/4930) njuswj 2011-11-23 2012-12-25 21:01:54 by cumtzl
[Vasp&Me ] [已完结]求大神赐势文件! (0/460) meiwei1988 2012-12-25 2012-12-25 18:36:09 by meiwei1988
[Vasp&Me ] [已完结]如何提高sqs的速度 (0/752) 呜呜哗啦 2012-12-25 2012-12-25 15:49:37 by 呜呜哗啦
[Vasp&Me ] 请教声子谱的计算 (13/1465) 轻轻飘过之 2012-09-19 2012-12-25 14:08:06 by 刘仕晨
[Vasp&Me ] [已完结]vasp做neb异常退出 (1/924) tzyioo 2012-12-24 2012-12-25 11:00:53 by tzyioo
[Vasp&Me ] [已完结]vasp能算团簇的极化率吗 (0/226) ikea1984 2012-12-25 2012-12-25 09:35:20 by ikea1984
[Vasp&Me ] [已完结]能带问题 DOS问题 请各位大侠帮我看看 (9/1309) lzlgcdc 2012-12-23 2012-12-25 00:06:15 by lzlgcdc
[Vasp&Me ] [已完结]关于CONTCAR和OUTCAR (0/318) yinhanqing 2012-12-24 2012-12-24 20:56:42 by yinhanqing
[Vasp&Me ] [已完结]界面的晶格常数 (3/542) fengnan127 2012-12-23 2012-12-24 19:07:56 by fengnan127
[Vasp&Me ] [已完结]求推荐计算表面缺陷形成能的文献 (1/372) physiclin 2012-12-24 2012-12-24 14:12:45 by wydzyx2003
[Vasp&Me ] (文献学习)一篇计算HfO2表面 结构与原子性质的文章 (评阅+5) (26/4475) huangll99 2012-04-30 2012-12-24 08:01:17 by yylhoodma
[Vasp&Me ] [已完结]请问phonopy在设超胞的时候怎么修复六角晶系的对称性 (4/945) xcid 2012-12-21 2012-12-23 20:37:01 by fanarsenal
[Vasp&Me ] 【求助】超胞的原子怎么数    ( 1 2 ) (13/1882) bluegirlll 2010-12-27 2012-12-22 21:58:34 by 刘仕晨
[Vasp&Me ] [已完结]vasp5.2怎么提交作业啊,新手 (4/1737) 赵聪怡 2012-12-18 2012-12-21 10:59:00 by 赵聪怡
[Vasp&Me ] [已完结]判断杂质引入的能带 (5/948) Illusionist 2012-12-19 2012-12-21 08:29:11 by Illusionist
[Vasp&Me ] [已完结]P4VASP使用export没反应 (2/1226) lzlgcdc 2012-12-19 2012-12-20 11:20:53 by lzlgcdc
[Vasp&Me ] 投稿到PRAMANA杂志9天了,状态还是New是怎么回事 (2/594) 梦里花 2012-10-20 2012-12-20 10:59:34 by jiall
[Vasp&Me ] [已完结]用SQS建模的文章中表格是如何得到的 (4/1257) 呜呜哗啦 2012-12-19 2012-12-20 10:31:09 by 呜呜哗啦
[Vasp&Me ] [已完结]关于VASP能带计算中K点路径设置 (3/3032) kugou521 2012-12-06 2012-12-19 23:08:14 by fzx2008
[Vasp&Me ] VASP在光催化中的应用之光电流 (10/2630) panhaijun 2012-12-11 2012-12-19 22:02:59 by panhaijun
[Vasp&Me ] 表面计算 (3/265) hy1987007 2012-12-17 2012-12-19 16:42:47 by hy1987007
[Vasp&Me ] [已完结]请教各位大侠+U对计算的影响    ( 1 2 ) (12/1471) lzlgcdc 2012-12-17 2012-12-19 12:35:57 by lzlgcdc
[Vasp&Me ] [已完结]作出的能带图k点数目与KPOINTS不符,请问怎么回事? (6/911) 学员Wh9wTw 2012-10-29 2012-12-19 11:40:51 by 707462558
[Vasp&Me ] [已完结]lev00出现锯齿 求助 (0/254) peng85722 2012-12-19 2012-12-19 09:13:13 by peng85722
[Vasp&Me ] [已完结]能带图问题求助    ( 1 2 ) (13/2136) yxz476440843 2012-06-04 2012-12-19 08:45:09 by 707462558
[Vasp&Me ] [已完结]VASP计算Fe3O4,FeO,Fe的自旋ISPIN数值如何确定 (0/684) fengyun4 2012-12-18 2012-12-18 19:13:44 by fengyun4
[Vasp&Me ] vasp计算时内存使用率低,请问是怎么回事儿??? (2/541) huangpu2009 2012-12-15 2012-12-18 12:38:12 by huangpu2009
[Vasp&Me ] [已完结]如何用波尔兹曼分布来计算吸附点的概率?急!! (0/153) gfunction 2012-12-17 2012-12-17 20:20:31 by gfunction
[Vasp&Me ] 【讨论】关于VASP结构优化顺序的问题 (3/1198) chinagoodnes 2012-12-16 2012-12-17 18:42:56 by sunflower_12
[Vasp&Me ] [已完结]磷原子与氮原子成键 (1/242) didadida321 2012-12-17 2012-12-17 14:47:29 by didadida321
[Vasp&Me ] [已完结]vasp下纳米管怎么构建的,一系列文件什么的都是怎么写的,求助各位了    ( 1 2 ) (14/902) lzlgcdc 2012-11-02 2012-12-16 22:26:13 by 707462558
[Vasp&Me ] [已完结]关于形成能的问题 (4/1530) llg1987 2011-11-23 2012-12-16 19:09:01 by silikiwi
[Vasp&Me ] [已完结]vasp 优化纳米管的时候ISIF 到底设为多少啊 (1/444) 707462558 2012-12-13 2012-12-16 16:34:05 by 707462558
[Vasp&Me ] [已完结]求助怎么编译VASP (1/640) mxl10000 2012-12-16 2012-12-16 14:59:24 by xianxianlu
[Vasp&Me ] [已完结]warning DENTET 请大家帮我看看…… (9/2305) lzlgcdc 2012-12-05 2012-12-15 21:52:23 by lzlgcdc
[Vasp&Me ] [已完结]NEB计算得到的过渡态能量值异常的低,为什么?请有经验的帮助回答一下 (0/854) jiehade123 2012-12-15 2012-12-15 21:45:00 by jiehade123
[Vasp&Me ] [已完结]能带计算时的参数设置 (4/991) lzlgcdc 2012-12-12 2012-12-15 15:52:30 by lzlgcdc
[Vasp&Me ] [已完结]如何判断那条能带是杂质引入的? (7/1207) Illusionist 2012-12-15 2012-12-15 15:15:05 by Illusionist
[Vasp&Me ] [已完结]ifort编译optics (3/898) fly_elephan 2012-12-14 2012-12-15 14:52:22 by ice_rain
[Vasp&Me ] [已完结]vasp的OUTCAR文件中spin component 1,2分别指? (6/1952) hutudiangong 2012-12-13 2012-12-15 11:21:11 by hutudiangong
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