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[热点] 售SCI一区文章，我:8.O.551.O.5.4,科目全,可伽急 TZqyNTBa07NP 2026-11-15 刚刚
[Vasp&Me ] Vasp参数不解 (9/1134) dwd0826 2011-12-15 2011-12-16 08:24:40 by future_wl
[Vasp&Me ] [已完结]能隙的计算 (1/588) 轻轻飘过之 2011-12-15 2011-12-15 22:55:03 by uuv2010
[Vasp&Me ] [已完结]新手请教用NEB方法计算energy barrier.    ( 1 2 ) (15/4104) gaofenglili 2011-12-09 2011-12-15 22:09:40 by wyf198166
[Vasp&Me ] 同一结构，vasp和castep计算band structure，结果是相同的还是不同的？ (7/2482) spatial 2011-12-12 2011-12-15 19:45:53 by liuhuimeiwoo
[Vasp&Me ] [已完结]自由能 结合能 (0/527) dfy50 2011-12-15 2011-12-15 12:38:34 by dfy50
[Vasp&Me ] 范德瓦尔斯力计算 (3/1751) nkleof 2011-12-14 2011-12-15 09:39:29 by yinketao
[Vasp&Me ] [已完结]vasp 中的赝势文件（） (3/2645) gjh123 2011-12-13 2011-12-15 09:15:25 by buct2010
[Vasp&Me ] [已完结]交换常数的计算 exchange parameter (2/1577) kgdu 2011-08-27 2011-12-14 17:15:17 by uuv2010
[Vasp&Me ] [已完结][关贴]Ge的能带计算 (0/319) lbing9002 2011-12-14 2011-12-14 15:41:14 by lbing9002
[Vasp&Me ] [已完结][关贴]求分享态密度数据后处理程序pdos.f90源代码 (0/360) 信任开花 2011-12-13 2011-12-13 20:58:03 by 信任开花
[Vasp&Me ] p4vasp画能带图的高对称点是怎么设定的? (1/2526) ApolloYang 2011-12-13 2011-12-13 15:33:10 by ApolloYang
[Vasp&Me ] [已完结]VASP软件安装步骤 (2/1020) fyh987 2011-12-12 2011-12-13 14:58:01 by liliangfang
[Vasp&Me ] 请大家帮我看看这个计算结果，多谢！ (7/1582) spur 2011-12-12 2011-12-13 11:16:51 by spur
[Vasp&Me ] [已完结]静态计算能收敛，同样的参数弛豫不能收敛，这是为什么？ (4/1976) gougou531 2011-12-11 2011-12-13 10:00:08 by wcbkele
[Vasp&Me ] [已完结]vasp soc 计算的MAGMOM (1/1493) repent03 2011-05-09 2011-12-13 09:22:35 by goodredfly
[Vasp&Me ] [已完结]VASP怎么做激发态啊？特别是温度。（热激发） (7/3228) dyc_2008 2011-11-15 2011-12-12 18:59:46 by stractor
[Vasp&Me ] 求助】vasp计算速度问题----相同CPU    ( 1 2 ) (15/3404) yxcai 2011-02-23 2011-12-12 14:03:20 by uuv2010
[Vasp&Me ] [已完结]Vasp5计算时能量收敛但是力未收敛 (1/2003) hw45888792 2011-12-12 2011-12-12 11:05:31 by shulai
[Vasp&Me ] [已完结]赝势转换 (2/429) nwx_ky 2011-12-11 2011-12-12 11:02:33 by shulai
[Vasp&Me ] [已完结]vasp计算包中有自旋电子和轨道电子的磁矩贡献么 (1/724) goodredfly 2011-12-12 2011-12-12 11:01:18 by shulai
[Vasp&Me ] [已完结]表面吸附    ( 1 2 ) (14/2241) zxgxbh2008 2011-11-06 2011-12-12 10:58:31 by wyf198166
[Vasp&Me ] 【求助】lev00 安装出错到原因？ (8/2794) 静待花开重新起� 2010-10-16 2011-12-12 10:24:32 by jdl272
[Vasp&Me ] [已完结]What's about O2p holes in doped oxides? (7/1870) cenwanglai 2011-12-09 2011-12-12 08:59:55 by cenwanglai
[Vasp&Me ] [已完结]求助计算能带时的kpoint提示错误 (6/1274) xx2008 2011-12-11 2011-12-11 12:00:43 by sunyang1988
[Vasp&Me ] 【求助完毕】DOS计算的EMIN,EMAX设置 (8/4963) cenwanglai 2010-08-17 2011-12-10 20:32:25 by sunyang1988
[Vasp&Me ] 【求助】用vasp的berry-phase计算BaTiO3的玻恩有效电荷，求指点 (5/1900) byin 2011-03-23 2011-12-10 11:15:06 by xutaotaiyuan
[Vasp&Me ] [已完结][关贴]vesta操作来构建原胞模型 (0/2554) 倔强的坚果墙 2011-12-09 2011-12-09 10:35:38 by 倔强的坚果墙
[Vasp&Me ] [已完结]VASP静态计算出错 (1/310) wanggy789 2011-12-08 2011-12-08 19:58:58 by uuv2010
[Vasp&Me ] BRMIX: very serious problems the old and the new charge density differ (评阅+5) (1/5286) mazuju028 2011-12-06 2011-12-08 19:31:39 by 06022045
[Vasp&Me ] 【求助】求助：wurtzite ZnO的四面体间隙和八面体间隙 (5/2090) vaspstudy 2010-08-26 2011-12-08 15:42:34 by 飘在空中的雨
[Vasp&Me ] [已完结]两个不同表面的TDOS用什么作为能量零点？ (3/1082) cenwanglai 2011-12-07 2011-12-08 10:57:48 by uuv2010
[Vasp&Me ] [已完结]CeO2氧空缺结构不对称 (7/1294) jiagx 2011-12-08 2011-12-08 10:56:32 by zyuea
[Vasp&Me ] [已完结]超晶胞 (3/952) chengliping 2011-12-07 2011-12-08 09:39:41 by 贺仪
[Vasp&Me ] [已完结]vasp：电子步不收敛 (0/3408) gougou531 2011-12-08 2011-12-08 09:33:18 by gougou531
[Vasp&Me ] 关于铝和金属氧化物表面的理论计算 (7/2467) xiaoboy185 2011-12-04 2011-12-08 09:20:48 by xiaoboy185
[Vasp&Me ] 【求助】询vasp价格    ( 1 2 ) (12/5903) qwe1997 2010-05-04 2011-12-08 00:35:24 by 25351048
[Vasp&Me ] [已完结]紧急求助HCHO气态分子的DOS (5/733) wanghui381 2011-12-07 2011-12-07 22:21:17 by 贺仪
[Vasp&Me ] [已完结][关贴]vasp4.6问题 (评阅+20) (2/468) wujing110 2011-12-07 2011-12-07 19:02:13 by wujing110
[Vasp&Me ] 【求助】做差分电荷密度 (5/2707) wanglei200 2011-03-14 2011-12-07 18:25:40 by 贺仪
[Vasp&Me ] 【求助】确定价带顶和导带底 (8/3548) meimeinn 2010-05-25 2011-12-06 21:36:14 by shilonglee
[Vasp&Me ] [已完结]由dos得到的磁矩有可能又小数点吗，一般是整数吧？ (2/956) zhoudayan2 2011-12-05 2011-12-06 16:56:57 by sunyang1988
[Vasp&Me ] [已完结]求vasp k 点程序输入文件syml.*** (1/1213) lascqy 2011-12-06 2011-12-06 15:57:19 by liliangfang
[Vasp&Me ] [已完结]计算体模量时，晶格常数该如何变化？ (0/817) freewain 2011-12-06 2011-12-06 03:24:41 by freewain
[Vasp&Me ] [已完结]CI-neb 收敛问题求教    ( 1 2 ) (15/2918) wup123 2011-12-02 2011-12-05 22:16:03 by cenwanglai
[Vasp&Me ] [已完结]vasp并行运行，内存占用很高，而cpu却很低 (2/1907) ddr6021023 2011-12-04 2011-12-05 19:10:58 by ddr6021023
[Vasp&Me ] [已完结]真空层设置 (5/2350) hshmama 2011-12-04 2011-12-05 09:55:14 by liliangfang
[Vasp&Me ] [已完结]supercell DOS (1/346) tuhaidan 2011-12-05 2011-12-05 09:21:14 by likai0106
[Vasp&Me ] [已完结]带点缺陷的POSCAR (2/560) 轻轻飘过之 2011-12-04 2011-12-05 08:42:29 by buct2010
[Vasp&Me ] [已完结]得到DOSCAR后怎么可以得到每个原子的总态密度 (3/1066) guitar2033 2011-12-04 2011-12-04 19:40:22 by 06022045
[Vasp&Me ] vasp编译成功，散金100~~    ( 1 2 3 ) (评阅+3) (120/3184) qianbj2006 2011-12-02 2011-12-04 18:33:11 by yorckzhang
[Vasp&Me ] [已完结]怎样查找晶体的对称性？ (1/549) 轻轻飘过之 2011-12-04 2011-12-04 15:34:55 by hedaors
[Vasp&Me ] [已完结]求助，计算分电荷密度PARCHG所遇到的问题 (3/1666) yuexiaoy1981 2011-12-02 2011-12-04 03:37:51 by yuexiaoy1981
[Vasp&Me ] [已完结]VASP开自旋时的LOCPOT应该如何处理？以及“如何平均”的问题 (2/955) byin 2011-12-02 2011-12-03 18:23:20 by byin
[Vasp&Me ] [已完结]linux下vesta执行 (3/882) xiaoboy185 2011-12-03 2011-12-03 17:37:27 by fzx2008
[Vasp&Me ] [已完结]关于能量 能带 太密度计算 (3/1284) xiaoboy185 2011-12-02 2011-12-02 17:26:35 by xiaoboy185
[Vasp&Me ] [已完结]VASP spin-orbit ERROR求助！ (0/535) langren24 2011-12-02 2011-12-02 16:34:33 by langren24
[Vasp&Me ] Graphene substrate-mediated catalytic performance enhancement (0/202) xyzzz986 2011-12-02 2011-12-02 13:35:23 by xyzzz986
[Vasp&Me ] [已完结]自旋轨道耦合改变晶体场对称性吗？ (1/600) shulai 2011-12-02 2011-12-02 12:07:06 by identation
[Vasp&Me ] [专家] [已完结]vasp里面的势能零点是什么？ (4/1527) dxcharlary 2011-12-01 2011-12-02 11:17:25 by dxcharlary
[Vasp&Me ] 有人有Fe_sv赝势吗？ (1/620) nkleof 2011-12-01 2011-12-02 08:36:17 by liliangfang
[Vasp&Me ] [已完结]请教各位高手，VASP算电荷有序需要设哪些参数啊？    ( 1 2 ) (10/2961) huyuxiav 2011-11-30 2011-12-01 22:09:03 by nkleof
[Vasp&Me ] 为什么ELF图在原子核的位置有的是0，有的是1？ (6/1903) byin 2011-11-29 2011-12-01 16:18:03 by sars518
[Vasp&Me ] [已完结]medeA中GW计算出错 can't read "functional": no such variable (0/335) spatial 2011-12-01 2011-12-01 15:47:35 by spatial
[Vasp&Me ] 表面吸附计算，NSW取多少合适？ (2/885) winstar 2011-11-29 2011-12-01 10:50:02 by kmw.8668
[Vasp&Me ] [已完结]vasp简单问题：网格划分与K点关系。 (1/1132) fangyongxinxi 2011-11-30 2011-11-30 20:43:47 by 贺仪
[Vasp&Me ] 没有版权，用VASP发文章可以只通过致谢么？ (13/8198) yllovelife 2011-11-28 2011-11-30 17:12:40 by vv_china
[Vasp&Me ] [已完结]PDOS可不可以通过旋转变换到另外一个三维正交坐标系中？ (3/1287) cenwanglai 2011-11-29 2011-11-30 15:47:55 by cavediger
[Vasp&Me ] 【求助】设置铁磁和反铁磁结果一样??? (5/2040) ddang100 2011-01-23 2011-11-30 09:51:49 by 冻冻2007
[Vasp&Me ] vasp 可以算键级吗 (1/1028) wanglei200 2011-11-28 2011-11-29 23:05:26 by cavediger
[Vasp&Me ] [已完结]VASP计算DOS求助！ (1/1175) langren24 2011-11-29 2011-11-29 22:53:48 by cavediger
[Vasp&Me ] 新手求助，bader的安装或者使用办法 (2/1211) ya_mde 2011-11-29 2011-11-29 20:27:49 by ya_mde
[Vasp&Me ] [已完结]计算表面时候的悬浮键 (6/883) xiaoboy185 2011-11-28 2011-11-29 16:35:01 by xiaoboy185
[Vasp&Me ] [已完结]求助vasp_晶格参数扫描 (5/2106) jiagx 2011-11-28 2011-11-29 13:09:33 by jiagx
[Vasp&Me ] [已完结]PDOS分析小分子：以O2分子为例（2pz的sigma键上下旋是分离的？） (0/471) cenwanglai 2011-11-29 2011-11-29 11:00:34 by cenwanglai
[Vasp&Me ] [已完结]关于晶体和表面的dos (3/687) xiaoboy185 2011-11-27 2011-11-29 07:47:08 by likai0106
[Vasp&Me ] [已完结]如何理解confinement effects (1/294) physiclin 2011-11-18 2011-11-28 22:24:33 by leeyong
[Vasp&Me ] [已完结]vasp计算铁磁性，得到的磁矩大小不同，怎么解释 (2/1613) zxinxin 2011-11-25 2011-11-28 08:40:54 by zxinxin
[Vasp&Me ] [已完结]关于vasp/medea中 GW计算的一些基本问题请教 (2/1022) spatial 2011-11-27 2011-11-28 02:58:16 by jghe
[Vasp&Me ] [已完结]internal ERROR RSPHER:running out of buffer (1/5147) byin 2011-11-27 2011-11-28 01:11:53 by byin
[Vasp&Me ] [已完结]请问吸收系数，消光系数，能量损失系数 (6/4335) liliangfang 2011-08-22 2011-11-27 21:36:21 by liliangfang
[Vasp&Me ] [已完结]自旋磁矩单位2S 与μb 的关系 (2/1232) zhoudayan2 2011-11-26 2011-11-27 20:54:29 by 贺仪
[Vasp&Me ] [已完结]带电缺陷的计算 (3/1825) 轻轻飘过之 2011-11-27 2011-11-27 20:25:20 by 轻轻飘过之
[Vasp&Me ] [已完结]关于HSE06 (6/2694) xiaoboy185 2011-11-25 2011-11-27 17:26:48 by mengnan0501
[Vasp&Me ] [已完结][关贴]带电缺陷deltaV的计算 (0/713) 轻轻飘过之 2011-11-27 2011-11-27 15:44:03 by 轻轻飘过之
[Vasp&Me ] [已完结][关贴]带电缺陷deltaV的计算 (0/858) 轻轻飘过之 2011-11-27 2011-11-27 15:42:45 by 轻轻飘过之
[Vasp&Me ] [已完结]求Ce和O的pw91赝势 (4/972) xiaoboy185 2011-11-26 2011-11-27 10:55:25 by xiaoj_zhang
[Vasp&Me ] DOS处理 (0/285) 小豆sumy 2011-11-26 2011-11-26 19:05:49 by 小豆sumy
[Vasp&Me ] [已完结]VASP 孤立原子 求磁矩 (4/1846) leila3409 2011-11-26 2011-11-26 14:30:48 by leila3409
[Vasp&Me ] [已完结]求助：一个简单修改 INCAR 文件 (3/1356) fangyongxinxi 2011-11-25 2011-11-25 15:54:30 by liliangfang
[Vasp&Me ] [已完结]关于优化晶格常数 (4/1994) xiaoboy185 2011-11-24 2011-11-25 15:12:10 by xiaoboy185
[Vasp&Me ] [已完结]VASP 4.6 怎样编译光学计算的模块 (1/422) liliangfang 2011-05-03 2011-11-25 15:01:39 by zhanganping
[Vasp&Me ] [已完结]请问有谁用5.2算过介电函数或者光学性质的 (1/536) liliangfang 2011-08-28 2011-11-25 14:58:08 by zhanganping
[Vasp&Me ] [已完结]请问 VESTA 如何单独显示一个分子？ (1/1440) ApolloYang 2011-11-23 2011-11-25 14:30:51 by ApolloYang
[Vasp&Me ] [已完结]关于电荷密度差的一个问题？ (2/611) dyc_2008 2011-11-25 2011-11-25 14:30:44 by 06022043
[Vasp&Me ] [关贴]vasp怎样快速正确写出一个结构的POSCAR??? (7/3298) 倔强的坚果墙 2011-11-25 2011-11-25 13:22:25 by enola
[Vasp&Me ] [已完结]vasp和MS中如何得到所有键长？ (1/935) mazuju028 2011-11-24 2011-11-25 13:16:59 by enola
[Vasp&Me ] [已完结][关贴]关于电荷密度差的一个问题？ (0/613) dyc_2008 2011-11-25 2011-11-25 11:04:37 by dyc_2008
[Vasp&Me ] [已完结]CBM(conduction band minima) VBM(vlance band maximum）以及差值 (2/1346) weixp2008 2011-11-20 2011-11-24 23:05:48 by weixp2008
[Vasp&Me ] [已完结]计算原子磁矩时出现对称性问题 (7/2326) byin 2011-10-16 2011-11-24 20:30:23 by byin
[Vasp&Me ] [已完结]如何实施 ions relax (4/772) xutaotaiyuan 2011-11-22 2011-11-24 10:24:16 by 贺仪
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