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[热点] 国社科系统bug了,是不是要放榜了? kynobel 2026-09-18 刚刚
[Vasp&Me ] 【求助完毕】IBZKPT,KPOINTS与DOS计算 (4/2546) cenwanglai 2010-08-19 2010-08-24 17:17:38 by 江山8806
[其他] 【求助】盗版模拟软件能用于发表高水平文章吗?    ( 1 2 ) (12/1442) delarzhang 2010-08-24 2010-08-24 16:57:20 by delarzhang
[Abinit] 【求助】Abinit5.8.4windows版如何安装    ( 1 2 ) (12/2241) qiwei505 2010-04-26 2010-08-24 16:17:37 by xumc2000
[Vasp&Me ] 【求助】POTCAR怎么看价电子 (4/6346) txf8378 2010-08-23 2010-08-24 16:00:01 by 江山8806
[MS] 【求助】请高手帮忙看看! (7/1328) g_xq96 2010-04-20 2010-08-24 15:45:17 by congliang163
[MS] 【求助】请问用Materials Studio怎样算多壁碳纳米管的能带? (4/1217) g_xq96 2010-04-02 2010-08-24 15:39:49 by congliang163
[Vasp&Me ] 【求助】VASP并行效率相当差,如何解决? (0/874) jglee646 2010-08-24 2010-08-24 14:46:06 by jglee646
[MS] 【求助】molecular docking    ( 1 2 ) (19/1956) 天下枫叶 2010-08-23 2010-08-24 13:33:02 by 天下枫叶
[Abinit] 【求助】这是内存不足的问题吗? (2/731) mazuju028 2010-08-24 2010-08-24 12:03:16 by fzx2008
[MS] 【求助】DMOL-中计算出的DOS图的都是上下对称的,根本没法用,求和我相同遭遇的人给我 (7/1374) qqfly2003 2010-08-21 2010-08-24 08:35:16 by qqfly2003
[MS] 【求助】请问有谁做过population analysis,NiAs结构中有多少个键 (3/881) wzh上善若水 2010-08-17 2010-08-24 07:49:18 by xyzzz986
[QE(Pwsc ] 【求助】又没有软件啥的可以把bandstructure的结果转换成dos的 (5/641) zhuguomin1 2010-08-19 2010-08-23 19:27:09 by zhuguomin1
[Vasp&Me ] 【求助】vasp 编译错误 (5/2043) jinnengzhi 2010-08-20 2010-08-23 11:21:02 by jinnengzhi
[MS] 【求助】castep计算声子谱 (3/1598) newton3915 2010-08-23 2010-08-23 11:00:35 by xirainbow
[MS] 【求助】晶包的问题 (3/795) wanfei 2010-08-22 2010-08-23 10:55:20 by wanfei
[MS] 【求助】MS 如何算提模量,杨氏模量和声速等力学性质? (1/1654) ym23 2010-08-23 2010-08-23 09:41:05 by zzy870720z
[其他] 【其他】第十六届统计物理与凝聚态物理学术会议正在长春召开! (评阅+2) (2/388) goldenfisher 2010-08-22 2010-08-23 08:04:19 by hedaors
[MS] 【求助】研究无定形体系的软件 (4/544) xuexue9990 2010-07-24 2010-08-23 02:30:50 by zyj8119
[Abinit] 【求助】求助最新Abinit5.8.4的windows版本的安装 (5/1088) positron 2009-11-27 2010-08-22 21:38:46 by ss!
[MS] 【求助】结构绘制 (2/285) 天下枫叶 2010-08-22 2010-08-22 21:37:17 by 天下枫叶
[其他] 【求助】频率的计算与转化 (3/1264) 江山2010 2010-08-22 2010-08-22 20:45:20 by 锐利的碎片
[MS] 【求助】MS中,反铁磁表面吸附小分子的计算 (1/920) 宏hong 2010-07-19 2010-08-22 20:27:11 by 宏hong
[Vasp&Me ] 【求助】VASP编译出错 (5/2088) sunyang1988 2010-08-22 2010-08-22 20:16:45 by sunyang1988
[Vasp&Me ] [专家] 【求助】求vasp各赝势文件夹的具体意义 (3/2388) dxcharlary 2010-08-20 2010-08-22 19:14:56 by dxcharlary
[Abinit] 【求助】abinit计算声子频率的问题 (4/1163) fulin 2010-08-21 2010-08-22 13:24:17 by lfhuang
[Abinit] 【求助】在哪里或是怎么样能找到用abinit发表的文章呢? (3/699) mazuju028 2010-08-19 2010-08-22 10:23:15 by mazuju028
[Vasp&Me ] 【求助】有谁用VASP算过bonding electron number (0/228) guanyazhuo5278 2010-08-22 2010-08-22 09:20:57 by guanyazhuo5278
[Vasp&Me ] 【求助】vasp限制磁矩计算 (金币≥1)(1/76) mingyan988 2010-08-20 2010-08-22 00:53:04 by sunyang1988
[MS] 【求助】Materials-studio做出的结果能否发表 (9/1808) laidaohui 2010-08-21 2010-08-21 22:49:02 by lwrobinson
[MS] [关贴]【求助】recleave,rebuild,什么时候用什么时候不用啊 (3/364) guolianshun 2010-08-21 2010-08-21 22:41:36 by cenwanglai
[Vasp&Me ] 【求助】态密度分析文章 (3/999) kgdu 2010-08-18 2010-08-21 21:14:34 by zengchangan
[Vasp&Me ] 【求助】用vasp怎么来算声子频率? (2/588) fulin 2010-08-21 2010-08-21 21:13:33 by xirainbow
[MS] 【求助】聚合物的耐磨性的验证方法 (0/269) l253589424 2010-08-20 2010-08-21 20:45:49 by l253589424
[MS] 【求助】怎么算周期性结构的轨道电子密度 (0/347) wanwanq 2010-08-20 2010-08-21 20:45:26 by wanwanq
[MS] 【求助】Ms中Rietveld精修的问题 (0/794) 江海寄余生 2010-08-21 2010-08-21 20:45:06 by 江海寄余生
[Siesta& ] 【求助】incident state (1/314) kaypu 2010-08-20 2010-08-21 20:28:20 by 椰浆饭
[MS] 【求助】金纳米空球 (1/315) wanfei 2010-08-19 2010-08-21 17:11:18 by wanfei
[Vasp&Me ] 【求助】vasp安装问题    ( 1 2 3 ) (27/3178) 贺仪 2010-08-17 2010-08-21 16:13:51 by zzy870720z
[其他] 【其他】GULP 讨论 (3/677) fzx2008 2010-08-20 2010-08-21 16:12:25 by fzx2008
[MS] 【求助】castep计算出现停止现象。请求高手。 (3/1091) liwangchan 2010-08-18 2010-08-20 21:53:27 by yindeqiang
[MS] 【求助】晶体硬度在CASTEP下的计算 (4/1512) wzh上善若水 2010-07-21 2010-08-20 20:08:21 by lichangchen
[MS] [专家] 【求助】向大家咨询一下,第一性原理计算氢键的一些性质怎么算? (2/367) dxcharlary 2010-08-14 2010-08-20 18:49:08 by dxcharlary
[MS] 【求助】这样是否可以删掉K、I原子投入计算 (2/382) gsp99 2010-08-20 2010-08-20 18:02:39 by Hector8275
[QE(Pwsc ] 【求助】结构优化不收敛或是收敛太慢,怎么办? (8/5073) didi5158 2010-07-16 2010-08-20 16:19:03 by dxcharlary
[MS] [关贴]【求助】MS3D页面分子不能移动也不能旋转定格了 (4/1042) guolianshun 2010-08-19 2010-08-20 10:23:30 by zzy870720z
[其他] [关贴]【求助】文章的引用 (0/216) number1xu 2010-08-20 2010-08-20 09:54:44 by number1xu
[MS] 【求助】linux下 MS 提交作业 不能指定多个CPU (7/1528) lxjuan 2010-08-19 2010-08-20 09:32:21 by lxjuan
[其他] 【求助】5万元左右的计算用服务器推荐    ( 1 2 ) (10/2865) wenjlu 2010-08-18 2010-08-20 08:56:22 by madonion
[Vasp&Me ] 【求助】NEB算过渡态出现致命错误 (5/1745) sunyang1988 2010-08-18 2010-08-20 01:57:07 by gump_813276
[Siesta& ] 【求助】ATK 计算800个原子的脚本 (5/827) lxmn 2010-06-09 2010-08-19 20:14:23 by 328756249
[Siesta& ] 【求助】ATK WINDOWS怎么并行 (2/436) soulsai 2010-06-15 2010-08-19 20:12:04 by 328756249
[MS] 【其他】根据什么选择的结构优化的标准    ( 1 2 ) (11/787) Hector8275 2010-08-18 2010-08-19 16:59:50 by Hector8275
[Vasp&Me ] 【求助】vasp 计算原子受力 (1/1190) quby7503 2010-08-18 2010-08-19 16:13:36 by stractor
[Siesta& ] 【求助】优化出错 (1/365) smartly 2010-08-19 2010-08-19 16:08:55 by zhangguangping
[Vasp&Me ] 【求助】vasp中的赝势 (8/1417) kgdu 2010-08-14 2010-08-19 14:04:30 by lfhuang
[MS] 【求助】+U的设置 (1/717) lguanl 2010-08-19 2010-08-19 13:38:34 by cenwanglai
[MS] 【求助】CASTEP计算出的能带图的k点在origin中如何处理啊 (6/2420) wzh上善若水 2010-08-12 2010-08-19 09:45:33 by cenwanglai
[MS] [关贴]【求助】卟啉吸附二氧化钛表面模型的建立有会的吗 (3/460) guolianshun 2010-08-16 2010-08-19 09:21:59 by guolianshun
[MS] 【求助】关于DMol3中的收敛问题?? (2/1125) xbb421987 2010-07-24 2010-08-19 09:02:45 by sciencemaji
[热点前沿 ] 【求助】拜求各位,磁性原理做的专业的杂志有哪些? (2/740) candyaaa 2010-08-03 2010-08-19 08:57:10 by sciencemaji
[MS] 【其他】晶格畸变,一起DOS图中peak的扩宽,是否具有普遍性? (0/230) xbb421987 2010-08-19 2010-08-19 08:37:58 by xbb421987
[Vasp&Me ] 【求助】铁磁(FM)和反铁磁(AFM)的SPDOS有何区别 (6/1863) zhjh888888 2010-05-25 2010-08-18 21:18:04 by identation
[Vasp&Me ] 【求助成功】请教下5*5*3 K点设置的理由 (5/587) calos818 2010-08-18 2010-08-18 20:40:56 by calos818
[Vasp&Me ] 【求助】以前用Materials Explorer做材料学计算,现在想改用VASP是否可以解决问题?    ( 1 2 ) (13/1389) 风间的记忆 2010-08-12 2010-08-18 17:07:14 by zzy870720z
[MS] 【求助】算磁性,求Fe原子U值。 (5/1292) gongjijun 2010-07-30 2010-08-18 16:48:54 by sciencemaji
[MS] 【求助】表面模型优化问题 (1/481) houfeifan 2010-08-18 2010-08-18 15:44:21 by houfeifan
[MS] 【求助】怎么计算氮原子能量    ( 1 2 ) (10/2074) yuandi1979 2010-08-16 2010-08-18 15:30:17 by yuandi1979
[MS] 【求助】dmol的电子密度图为什么这样 (1/342) lwei7336 2010-08-12 2010-08-18 15:04:32 by lwei7336
[MS] 【求助】关于两种晶体的固溶 (2/387) luoye8885 2010-08-08 2010-08-18 10:42:12 by 锐利的碎片
[MS] 【求助】程序失败!! (2/599) astrolia 2010-08-17 2010-08-18 10:23:39 by astrolia
[MS] 【求助】收敛问题 (9/1630) piao2004ha 2010-07-27 2010-08-18 10:06:52 by sunyang1988
[MS] 【求助】如何用MS软件构建TiO2纳米管 (1/793) lybzyt 2010-08-04 2010-08-18 09:32:17 by xintom
[Vasp&Me ] 【求助】VASP安装64位还是32位ubuntu (1/631) enola 2010-08-18 2010-08-18 09:02:51 by 风间的记忆
[MS] 【求助】文件不能运行,这是什么问题呢    ( 1 2 ) (10/1150) charityqi 2010-08-16 2010-08-18 08:35:49 by charityqi
[Vasp&Me ] 【求助】vasp计算 (4/1100) 江山2010 2010-08-17 2010-08-17 21:18:07 by zzy870720z
[MS] 【求助】在MS里,如何在一个晶胞里加入一个分子 (3/1635) shiyanshi2 2010-08-11 2010-08-17 16:33:53 by enola
[Vasp&Me ] 【求助】计算H2出现的问题 (3/837) vaspnew 2010-08-16 2010-08-17 16:30:32 by quby7503
[QE(Pwsc ] 【求助】bandstructure 和 DOS出现矛盾结果 (9/1044) zhuguomin1 2010-08-14 2010-08-17 16:24:34 by zhuguomin1
[QE(Pwsc ] 【求助】pwscf运行出错 (2/1275) sg18408926 2010-08-17 2010-08-17 15:32:07 by sg18408926
[MS] 【求助】分子模拟中的,退火问题 (2/1067) cocoling 2010-08-08 2010-08-17 15:10:59 by dickli2008
[MS] 【求助】MS中的退火问题 (评阅+1) (1/1809) cocoling 2010-08-13 2010-08-17 15:06:57 by dickli2008
[Vasp&Me ] 【求助完成】kmesh和encut,先优化哪一个? (3/1138) gleerat 2010-08-14 2010-08-17 14:22:31 by cenwanglai
[Siesta& ] 【求助】siesta怎样计算态密度 (8/2989) dalongmao 2009-08-31 2010-08-17 10:45:19 by fengshiquan
[Vasp&Me ] 【求助】磁性计算 (6/2297) hechaoyu 2010-08-13 2010-08-17 10:41:58 by nkleof
[Siesta& ] 【求助】siesta优化的问题 (8/2193) maomao-666 2010-04-08 2010-08-17 10:28:33 by fengshiquan
[Vasp&Me ] 【求助】并行错误? (8/1297) huangyc 2010-08-14 2010-08-17 10:28:01 by huangyc
[Siesta& ] 【求助】用siesta计算时,建模的块体晶格常数如何确定 (8/1899) smartly 2010-08-06 2010-08-17 10:12:23 by fengshiquan
[Vasp&Me ] 【求助】关于ISIF的选择 (8/2093) qiqi2926 2010-07-24 2010-08-16 22:23:37 by zengchangan
[Vasp&Me ] 【求助】co性质 (0/253) 江山2010 2010-08-16 2010-08-16 19:52:50 by 江山2010
[其他] 【求助】那位牛人知道对称性是如何加入程序的 (4/588) beyondstar 2010-08-07 2010-08-16 17:31:43 by hcdd1986
[其他] 【求助】固体理论的答案李正中 详细版 (2/1988) lideyu1223 2010-07-27 2010-08-16 16:49:52 by anhui_dali
[Vasp&Me ] 【求助】layer-KKR方法? (1/953) zhangdelin0000 2010-08-15 2010-08-16 16:41:56 by chgzhong
[MS] 【求助】体系能带整体下移说明了什么? (3/1051) fangyongxinxi 2010-08-14 2010-08-16 11:25:19 by hgye
[Vasp&Me ] 【求助】求VASP的赝势库。。    ( 1 2 ) (11/2789) 空壳 2010-07-17 2010-08-16 10:02:11 by 空壳
[MS] 【求助】castep 算能量随K点的变化关系 (8/1346) btvipvip 2010-08-15 2010-08-15 21:35:30 by btvipvip
[Vasp&Me ] 【问题解决】求VENUS软件下载 (1/953) qiqi2926 2010-08-09 2010-08-15 18:56:37 by 江山2010
[MS] 【求助】氧分子怎么构建和计算能量 (1/566) yuandi1979 2010-08-15 2010-08-15 15:02:55 by houfeifan
[MS] 【求助】Linux 安装 (2/739) ruibinjiang 2010-08-15 2010-08-15 12:51:24 by zzy870720z
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