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[热点] 面上基金申报没有其他的参与者成吗 默默的小虫子 2026-02-02 刚刚
[Vasp&Me ] [已完结]计算态密度时有的原子没有态密度 (0/611) pevil 2012-07-18 2012-07-18 09:08:13 by pevil
[Vasp&Me ] [已完结]上手练习中的LDOS图怎么画 (5/2368) yk2425 2011-09-21 2012-07-17 20:05:23 by 578513439
[Vasp&Me ] [已完结]vasp计算结果中怎么查看bands带隙和磁矩? (0/3380) niuxiaoqi721 2012-07-17 2012-07-17 15:52:54 by niuxiaoqi721
[Vasp&Me ] 有关结构在晶胞中的位置问题 (1/454) stevencong 2012-07-15 2012-07-17 09:10:59 by wuyuxiah
[Vasp&Me ] [已完结]纳米线截面大小选取 (1/398) forestwolf9291 2012-07-14 2012-07-15 11:52:40 by forestwolf9291
[Vasp&Me ] [已完结][关贴]vasp 安装问题 (0/398) gyldmy 2012-07-13 2012-07-13 21:08:43 by gyldmy
[Vasp&Me ] 【求助】各位大侠!小女子求助钙钛矿结构计算磁性的问题? (36/4565) hyff0809 2011-04-11 2012-07-13 14:25:41 by amberkaka
[Vasp&Me ] [已完结]请问VASP5.2的源程序里,关于自洽计算部分的主要源程序有哪些? (1/373) 学员dcmbNi 2012-07-12 2012-07-13 10:17:09 by liuchangzzw
[Vasp&Me ] [已完结]修改RWIGS 维格纳半径之后,差分电荷密度会不会变化 (4/1527) pevil 2012-07-11 2012-07-12 16:20:37 by orbital
[Vasp&Me ] [已完结]带电体系的弛豫计算: 难收敛问题 (9/2160) umklapp 2012-06-26 2012-07-12 10:57:29 by umklapp
[Vasp&Me ] [已完结]我的差分电荷密度正常吗?能不能给个提示。谢谢啦!    ( 1 2 ) (19/1863) c03185 2012-06-27 2012-07-12 10:12:31 by hwceng0816
[Vasp&Me ] [已完结]vasp 集群并行出错 (7/1511) lightgjx 2012-07-08 2012-07-12 08:21:10 by lightgjx
[Vasp&Me ] 从OUTCAR中得到总能 (9/3062) 狗狗529 2012-07-10 2012-07-11 12:14:16 by condensed
[Vasp&Me ] 【求助】能否发一份用vasp计算超晶胞某个表面的输入文件给我 (7/2088) 缺心眼桌 2010-06-29 2012-07-11 08:40:11 by robinson8607
[Vasp&Me ] [已完结]谁能给我个libgoto.so文件,谢谢 (评阅-2) (2/368) aylixmut 2012-07-09 2012-07-10 21:16:55 by aylixmut
[Vasp&Me ] [已完结]提交作业问题 (1/574) xiongb123456 2012-07-10 2012-07-10 14:37:52 by likai0106
[Vasp&Me ] [已完结]光学性质中的能量 (0/209) wswangs 2012-07-10 2012-07-10 11:25:15 by wswangs
[Vasp&Me ] [已完结]Ubuntu下p4vasp 安装好了没菜单栏,python2.6-dev装不上 (2/838) ted1277 2012-07-09 2012-07-10 11:25:00 by ted1277
[Vasp&Me ] [已完结]怎么分析表面能带图哪些带是surface state (3/771) lyylyy1 2012-05-20 2012-07-10 09:44:28 by lyylyy1
[Vasp&Me ] [已完结]看到有人计算磁性材料时,设置参数如下,不知道有必要没有? (1/1257) niuxiaoqi721 2012-07-09 2012-07-10 09:43:59 by dhc198611
[Vasp&Me ] [已完结]态密度计算 vasp 4.6 计算Zn原子的PDOS 关于Zn(3d104s2)的4p对价带的贡献 (4/1625) ares119 2012-07-03 2012-07-10 07:01:36 by umklapp
[Vasp&Me ] HSE算到一半断电了怎么办? (1/303) mazuju028 2012-07-09 2012-07-09 16:28:25 by mazuju028
[Vasp&Me ] [已完结]vasp输出文件OSZICAR中的mag是什么意思 (4/4364) xiaoluoj 2012-07-07 2012-07-09 13:08:03 by umklapp
[Vasp&Me ] [已完结]用Phonon计算fcc声子谱不能选择[110]方向? (4/1495) 舞昂琦VoVo 2012-07-07 2012-07-08 12:19:34 by souledge
[Vasp&Me ] 【求助】如何用DOSCAR画态密度呢 (12/2820) ustbwgs 2011-04-04 2012-07-07 17:08:46 by fyuewen
[Vasp&Me ] [已完结]吸附能为负值应该如何解释? (6/7740) gfunction 2012-07-06 2012-07-07 14:24:11 by uuv2010
[Vasp&Me ] [已完结]idos (5/566) liuqun 2012-07-06 2012-07-07 10:26:14 by lbing9002
[Vasp&Me ] 【求助】求助金属的晶格常数值(实验值)    ( 1 2 ) (17/1270) fulin 2010-09-15 2012-07-07 05:35:20 by guifan
[Vasp&Me ] [已完结]用vasp计算的时候,输出文件怎么会出现下面这个文件? (0/299) fy-dream 2012-07-06 2012-07-06 17:19:56 by fy-dream
[Vasp&Me ] 请大牛指教。关于截断动能、原子数目,K点密度 (4/1297) dyc_2008 2012-07-06 2012-07-06 16:27:30 by dyc_2008
[Vasp&Me ] [已完结]四方相 铁电极化 berry phase (2/302) tuhaidan 2012-07-03 2012-07-06 03:57:07 by umklapp
[Vasp&Me ] [已完结]四方相 结构优化 ISIF? (8/926) tuhaidan 2012-07-03 2012-07-05 19:33:32 by mousekingadv
[Vasp&Me ] [已完结]装ATLAS的时候报错,谁知道怎么解决? (0/752) whb06370283 2012-07-05 2012-07-05 19:26:44 by whb06370283
[Vasp&Me ] [已完结]求助VASP SCF出错 (0/1055) feier~ 2012-07-05 2012-07-05 09:00:05 by feier~
[Vasp&Me ] 计算介电常数离子贡献的理解 (3/906) lufly89 2012-05-29 2012-07-04 14:58:30 by lufly89
[Vasp&Me ] [已完结]在用Vasp计算时,遇到的问题 (8/2495) fy-dream 2012-07-02 2012-07-04 09:51:51 by fys131415
[Vasp&Me ] [已完结]vasp 计算 DOS 设置RWIGS ? (4/1656) fangyongxinxi 2012-05-20 2012-07-03 19:47:29 by mousekingadv
[Vasp&Me ] [已完结]vasp能带计算,DOS计算 (3/1475) xiehui0608 2012-03-08 2012-07-03 16:53:19 by mousekingadv
[Vasp&Me ] [已完结]VASP:原子中没有的轨道为什么出现在DOS里面 (7/1492) fangyongxinxi 2012-05-25 2012-07-03 16:07:32 by lbing9002
[Vasp&Me ] [已完结]用VASP做体内间隙掺杂!!求助 (0/476) mxl10000 2012-07-03 2012-07-03 12:10:26 by mxl10000
[Vasp&Me ] [已完结]计算空位石墨烯得到的DOS与文献不符 (8/1457) 梦里花 2012-07-01 2012-07-03 11:28:43 by 梦里花
[Vasp&Me ] [已完结]关于phonopy的小问题 (3/1296) just_play 2011-12-20 2012-07-02 14:02:57 by yayanoba
[Vasp&Me ] [已完结]如何用第一原理计算成键能量    ( 1 2 ) (10/2395) gfunction 2012-06-27 2012-07-02 08:56:21 by 谷子超
[Vasp&Me ] [已完结]电荷密度中,有的原子不显示,请问是为什么?    ( 1 2 ) (10/1671) c03185 2012-06-27 2012-07-01 06:59:51 by c03185
[Vasp&Me ] [已完结]请教有人用过黄良锋的hTST_code作指前因子计算不?    ( 1 2 ) (10/1193) 04nylxb 2012-06-27 2012-06-30 23:02:32 by 04nylxb
[Vasp&Me ] [已完结]采用不同的ISMEAR,为什么dos会有如此大不同 (3/1122) xiaoluoj 2012-06-28 2012-06-29 23:57:23 by umklapp
[Vasp&Me ] [已完结]想计算用氧饱和的硅纳米线能带,如何在硅纳米线表面加氧形成氧化层? (5/1194) leisy 2012-06-26 2012-06-29 23:25:29 by leisy
[Vasp&Me ] [已完结]如何编译VASP的vtst的code?    ( 1 2 ) (15/2616) liufeila 2012-06-15 2012-06-29 09:09:53 by xiongb123456
[Vasp&Me ] [已完结]求助-关于VASP计算 服务器配置问题 (5/1470) qlm2001 2012-06-26 2012-06-28 20:18:16 by 04nylxb
[Vasp&Me ] [已完结]急!有关自旋极化和自旋磁矩的问题 (4/2323) 阿黛拉 2012-06-27 2012-06-28 09:13:02 by piaoxue001
[Vasp&Me ] [已完结]静态计算 (4/581) yxz476440843 2012-04-25 2012-06-28 07:07:28 by yxz476440843
[Vasp&Me ] [已完结]p4vasp和gnuplot怎么画DOS和能带图 (0/2382) AesNaegea 2012-06-27 2012-06-27 21:47:30 by AesNaegea
[Vasp&Me ] [已完结]berry phase 电极化 偏小    ( 1 2 ) (12/720) tuhaidan 2012-06-24 2012-06-27 21:15:34 by spur
[Vasp&Me ] [已完结]flexible boundary condition VS periodic boundary condition? (0/215) dyc_2008 2012-06-27 2012-06-27 16:11:45 by dyc_2008
[Vasp&Me ] [已完结]CINEB (2/1223) liuqun 2012-06-11 2012-06-27 15:33:30 by liuqun
[Vasp&Me ] [已完结]能带图小问题 (评阅-10) (6/465) 人生果 2012-06-27 2012-06-27 14:41:36 by 人生果
[Vasp&Me ] 【求助】如何用castep计算一条能带的电荷密度 (4/922) hiyangyue 2011-04-08 2012-06-27 13:01:54 by lixiao85
[Vasp&Me ] [已完结]紧急求助!!!!计算硫酸锌的介电常数 (0/501) ssmile37 2012-06-26 2012-06-26 14:56:21 by ssmile37
[Vasp&Me ] [已完结]求助:如果在vasp中加磁场    ( 1 2 ) (11/2151) liuhuimeiwoo 2012-06-07 2012-06-26 13:31:29 by wenjlu
[Vasp&Me ] [已完结][关贴]求助几个元素的赝势 (0/471) 花无刺 2012-06-26 2012-06-26 08:51:26 by 花无刺
[Vasp&Me ] [已完结]新手求教! 在VASP中 怎样加入电子或空穴 并固定电子或空穴的位置呢? (2/1704) xingyexue 2012-06-25 2012-06-25 23:37:19 by umklapp
[Vasp&Me ] [已完结]HSE能否进行非自洽的计算    ( 1 2 ) (10/2056) lascqy 2012-05-18 2012-06-25 21:22:11 by lbing9002
[Vasp&Me ] [已完结]求助高手帮忙解决初始磁矩设置问题... (3/1536) physiclin 2011-08-26 2012-06-25 21:03:23 by umklapp
[Vasp&Me ] [已完结]求解掺杂后键长变化的物理机制 (2/555) physiclin 2011-11-17 2012-06-25 20:48:30 by umklapp
[Vasp&Me ] [已完结]ENCUT (2/315) fjfuzhou 2012-06-20 2012-06-25 20:46:46 by 06022043
[Vasp&Me ] [已完结]CINEB过渡态不收敛 (1/1021) liufeila 2012-06-25 2012-06-25 16:33:25 by likai0106
[Vasp&Me ] [已完结]NEB算法如何进行零点能修正 (1/798) likai0106 2012-05-11 2012-06-25 16:31:57 by lbing9002
[Vasp&Me ] [已完结]求助关于vasp磁矩设置的说明书的详细理解    ( 1 2 ) (12/3855) physiclin 2011-10-21 2012-06-25 08:31:57 by shagua8352
[Vasp&Me ] [已完结]能带图的特殊K点问题 (0/699) yxz476440843 2012-06-23 2012-06-23 22:22:44 by yxz476440843
[Vasp&Me ] [已完结]怎么让Vasp输出自洽后的Hamiltonian 和 Overlap矩阵? (5/882) tsh8167 2012-06-11 2012-06-23 03:07:36 by umklapp
[Vasp&Me ] [已完结]VASP频率 (5/717) liuqun 2012-06-21 2012-06-22 17:41:07 by hakuna
[Vasp&Me ] [已完结]画能带图的时候应该是以哪个费米能级为标准? (2/1190) haowenping 2012-06-21 2012-06-22 11:01:57 by boqun09
[Vasp&Me ] [已完结]求vasp输出文件中每一行代表意思的详解 (1/343) fy-dream 2012-06-21 2012-06-22 08:48:25 by yinwei_li
[Vasp&Me ] [已完结]关于vasp的INCAR中NUPDOWN设置问题 (1/982) xiongb123456 2012-06-20 2012-06-20 17:02:47 by xiongb123456
[Vasp&Me ] 【求助】费米能级不在导带和价带中间 (13/9560) 海湾 2011-04-01 2012-06-20 14:44:23 by 498552682
[Vasp&Me ] [已完结]静态计算忘记写一个文件了, 怎么补救? (2/424) xiaoluoj 2012-06-19 2012-06-20 12:37:04 by xiaoluoj
[Vasp&Me ] [已完结]在VASP计算中参数ISIF怎样设置才合理 (1/1091) qiaohongbo 2012-06-19 2012-06-19 11:19:32 by wangziyan3
[Vasp&Me ] [已完结]怎么从HSE的输出中看运行进度? (2/1145) mazuju028 2012-06-18 2012-06-18 23:12:33 by mazuju028
[Vasp&Me ] [已完结]分析价带顶导带底的能带 (9/2116) lufly89 2012-06-16 2012-06-18 16:54:21 by lufly89
[Vasp&Me ] [已完结]VASP计算cl-NEB出错,还请虫友们帮忙解决 (1/497) lijuanshu 2012-06-17 2012-06-18 11:06:00 by xiongb123456
[Vasp&Me ] [已完结]vasp求助 (0/168) fjfuzhou 2012-06-18 2012-06-18 10:47:30 by fjfuzhou
[Vasp&Me ] [已完结]vasp5.2.2计算大体系出错 (9/2370) liliangfang 2012-06-10 2012-06-17 22:48:03 by souledge
[Vasp&Me ] [已完结]vaspVTST安装出现这样的错误,是什么原因 (9/2567) sunxuancheng 2012-03-17 2012-06-17 18:50:17 by qphll
[Vasp&Me ] [已完结][关贴]求助VASP5.2.11软件    ( 1 2 ) (11/1468) 花无刺 2012-06-15 2012-06-16 22:44:07 by 花无刺
[Vasp&Me ] neb 收敛精度 (7/1901) egogg 2012-06-11 2012-06-16 12:21:35 by egogg
[Vasp&Me ] 掺杂 E-V曲线 (3/511) fjfuzhou 2012-06-15 2012-06-16 12:18:35 by fangyongxinxi
[Vasp&Me ] 关于电场的影响(2) (8/1446) cavediger 2012-06-06 2012-06-15 21:28:00 by cavediger
[Vasp&Me ] [已完结]弹性常数计算中用原包体积还是晶包体积? (9/2418) yxz476440843 2012-06-09 2012-06-15 20:24:32 by mousekingadv
[Vasp&Me ] [已完结]GGA (1/632) fjfuzhou 2012-06-15 2012-06-15 20:13:20 by mousekingadv
[Vasp&Me ] 关于NEB计算的基本问题 (7/1348) kmw.8668 2011-12-05 2012-06-15 18:16:13 by xmr0125
[Vasp&Me ] [已完结]求AlN计算弹性常数的INCAR, OLDPOS, KPOINTS, defvector.f,optimize脚本文件 (2/1112) 洋洋1984 2012-05-29 2012-06-15 17:00:14 by 洋洋1984
[Vasp&Me ] 【转帖】用VASP计算氢分子的能量 (8/6971) zdhlover 2009-06-26 2012-06-15 16:46:57 by xx4751
[Vasp&Me ] 分享一篇最新的VASP计算文献 (5/983) 9789074 2012-06-13 2012-06-15 09:35:51 by kmw.8668
[Vasp&Me ] [已完结]赝势的读取 (2/392) xiaoluoj 2012-06-13 2012-06-15 08:34:57 by mousekingadv
[Vasp&Me ] [已完结]求助 (1/208) fjfuzhou 2012-06-12 2012-06-15 00:07:55 by huangguiyang
[Vasp&Me ] [已完结]VASP中mag是什么 (0/1407) xiaoluoj 2012-06-14 2012-06-14 21:44:17 by xiaoluoj
[Vasp&Me ] [已完结]DFT-D2修正是什么意思 (3/1880) 困龙 2012-06-12 2012-06-14 11:01:59 by 困龙
[Vasp&Me ] [已完结]split_dos分割以后,如何找到对应的原子?    ( 1 2 ) (11/1739) liufeila 2012-06-13 2012-06-14 11:01:46 by liufeila
[Vasp&Me ] [已完结]isosurface取多少合适 (1/443) xiaoboy185 2012-06-12 2012-06-13 15:06:01 by xiaoboy185
[Vasp&Me ] [已完结]vasp计算弹性常数时 体系的选取 (0/633) rex881026 2012-06-13 2012-06-13 14:03:13 by rex881026
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