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[热点] 越来越担心硕士毕业后没有竞争力了 zuesli 2026-10-30 刚刚
[QE(Pwsc ] 【求助】如何用PWscf计算Local Band Structure! (4/989) 学员CkImlJ 2011-01-27 2012-09-27 11:49:09 by joshie
[QE(Pwsc ] graphene中对称性 (0/533) joshie 2012-09-27 2012-09-27 11:01:44 by joshie
[热点前沿 ] trap density of states 作何解?求教高手 (0/1075) bianyuan2680 2012-09-27 2012-09-27 10:34:15 by bianyuan2680
[MS] 【求助】48个原子无法分析光学性质 (8/1935) freshgirl 2009-10-26 2012-09-27 09:00:54 by xxjiang
[MS] 大家说说自己的服务器配置,最大算过多少原子的体系 (2/688) ginafire1978 2012-09-26 2012-09-27 08:30:39 by aaq2800
[MS] 请问,如果没有购买Matstudio的序列号,就不能发文章吗?    ( 1 2 ) (15/2466) chenhui1873 2012-09-23 2012-09-26 20:30:28 by wenmingwmwmw
[MS] 铽(Tb)团簇 (5/774) lilanvlinwei 2012-09-23 2012-09-25 21:06:30 by lilanvlinwei
[Vasp&Me ] VASP可以控制元素化合价么 (10/1855) 极速小木虫 2012-04-21 2012-09-25 15:21:31 by huangll99
[MS] MS5.5 是不是还有win 7 64位专门的版本? (1/418) hwceng0816 2012-09-22 2012-09-24 19:20:13 by 飞行鸟
[MS] 稀土元素铽(Tb)计算 (4/1728) lilanvlinwei 2012-09-22 2012-09-24 14:23:27 by chimegreen
[MS] 我想问问波失应该怎么理解? (1/684) 一片儿陶客 2012-09-22 2012-09-22 20:03:24 by sunboyccc
[资源] 如何用MS5.0的客户端,在4.4版的集群上计算CASTEP (评阅+3) (0/429) digghost 2012-09-22 2012-09-22 19:32:06 by digghost
[热点前沿 ] 关于FP-LAPW 、LTMO , LSDA+U 、self-interaction corrected LSDA 几种算法的优缺 (0/1058) fansw1129 2012-09-22 2012-09-22 16:09:43 by fansw1129
[热点前沿 ] SSD固态硬盘如何? 大家来讨论下 35 (9/2279) franch 2012-09-19 2012-09-21 21:32:05 by fengyu9519
[MS] 【求助】NaCl结构(111)表面能计算建模求助 (7/2893) michael1883 2010-11-18 2012-09-21 17:17:31 by yourne
[其他] 中科院高能所核能纳米组紧急招收客座研究生2-3名 (2/762) bluejh 2011-07-13 2012-09-21 12:16:29 by tonglijia
[MS] 【求助】模拟扩散轨迹    ( 1 2 ) (10/1826) 学员NnOUhz 2010-09-01 2012-09-21 11:29:09 by huangshuang1
[资源] 软件请教 (1/628) 飞翔的老鹰 2012-09-21 2012-09-21 10:33:20 by babaleo
[MS] 【求助】纳米管建模 (7/1925) sdjgdu 2010-10-09 2012-09-21 06:33:35 by 707462558
[MS] 【求助】两个切面的γ角不同怎么调整组合成界面    ( 1 2 ) (11/2392) 8240668 2010-06-19 2012-09-20 19:57:55 by gcworm
[MS] 第一性原理从本质上解释力学的本源—讨论(1) (2/875) zjj760120 2012-04-11 2012-09-20 18:14:17 by tonglijia
[MS] 做第一性原理计算的虫友你们毕业都去了哪里?    ( 1 2 3 ) (28/2923) hwceng0816 2012-07-12 2012-09-20 13:04:32 by anlen0615
[MS] MS创建晶胞 (2/724) cheapskate 2012-09-20 2012-09-20 12:40:13 by xd星期八
[其他] 怎么回答编辑这样的提问 (7/1722) 416726641 2012-09-17 2012-09-19 11:55:11 by weixp2008
[MS] 模型的显示 (0/189) shmilylxc 2012-09-18 2012-09-18 16:38:56 by shmilylxc
[MS] license (2/489) shmilylxc 2012-09-18 2012-09-18 14:51:45 by shmilylxc
[MS] 【求助】分析HOMO LUMO    ( 1 2 ) (10/2855) wanfei 2010-05-31 2012-09-18 13:00:12 by jianying8996
[Siesta& ] 【求助】分子动力学 固定原子出错 (5/1318) smartly 2010-12-30 2012-09-18 10:44:00 by smartly
[Abinit] 【求助】ABINIT如何计算红外、拉曼光谱? (1ST强帖+1)(9/3564) identation 2010-03-19 2012-09-18 09:00:00 by mywtfmp3
[Vasp&Me ] 什么情况下,考虑打破对称性? (3/1242) Mr_WuSH 2012-09-17 2012-09-17 23:29:45 by umklapp
[其他] 论文引用参考文献格式 (0/1104) k_now 2012-09-17 2012-09-17 13:27:29 by k_now
[MS] 【求助】50金币求助建模 (10/1337) snowhitsnow 2011-03-19 2012-09-16 16:12:11 by luokang
[Vasp&Me ] 想要看懂VASP的代码,并且能够具有开发能力,需要看哪些书? (15/1324) zyj8119 2012-09-10 2012-09-14 23:17:32 by liudongyun
[QE(Pwsc ] 现在下载QE(Pwscf)需要注册,一般几天会收到回复阿 (3/950) meyhf 2012-09-13 2012-09-13 14:25:34 by meyhf
[MS] 【求助】问问问问:团簇单独用dmol3计算,和放在晶格里面算有什么区别啊??? (7/1623) fanny0007 2010-04-02 2012-09-12 20:40:00 by wcj668899
[其他] 用NT-LMTO-ASA计算DOS,出错 (0/457) ljzhou86 2012-09-12 2012-09-12 16:00:27 by ljzhou86
[其他] 【求助】XCrySDen 在WINDOWS7下的安装的问题 (8/2799) leila3409 2011-02-23 2012-09-12 07:11:31 by hakuna
[Vasp&Me ] 学好VASP,需要看哪些书籍    ( 1 2 ) (10/3250) xmr0125 2011-06-16 2012-09-12 05:26:03 by xmr0125
[Vasp&Me ] 每个核心的效率都是100%了,但是感觉它还是没有跑起来 (1/409) gleerat 2012-09-11 2012-09-11 23:19:01 by gmmy
[Vasp&Me ] vasp (25/1509) zuocuiping 2012-09-07 2012-09-11 17:07:28 by 584204004
[MS] 调节castep对于晶体结构总能的计算 (6/2461) xcpu 2012-07-29 2012-09-11 16:58:31 by xcpu
[Wien2k& ] wien2k 初始化过程中出错,struct 文件变空或一部分 (0/357) hlshi 2012-09-11 2012-09-11 16:40:02 by hlshi
[MS] 【求助】如何在原子间加上化学键    ( 1 2 ) (10/4249) zhaojy008 2010-11-07 2012-09-11 11:26:04 by huangshuang1
[其他] 功函数测量 (2/1143) wanders 2011-05-15 2012-09-11 11:16:49 by niubilitier
[MS] 【求助】castep并行计算问题    ( 1 2 ) (15/3173) w2056275 2009-04-15 2012-09-10 05:17:34 by 514709618
[MS] MS Castep结构优化后,+U计算性质收敛慢 (3/2366) xcpu 2012-09-07 2012-09-09 16:14:27 by lics19870210
[Vasp&Me ] 【求助】关于金属表面吸附 (10/2433) chiqiong 2011-03-09 2012-09-09 12:41:13 by hakuna
[Vasp&Me ] 如何进行磁性的优化 (4/682) 171713294 2012-09-08 2012-09-09 11:07:39 by 171713294
[Siesta& ] ATK,透射谱 (3/1112) jlee11dr 2012-09-07 2012-09-09 09:52:49 by jlee11dr
[Vasp&Me ] vesta的bug貌似还不少呢    ( 1 2 ) (10/1708) Prettyswan 2012-09-05 2012-09-08 18:33:34 by Prettyswan
[其他] 问一个问题 关于传导电子的 (7/1352) liuhaoshu11 2012-09-05 2012-09-08 18:11:31 by gcworm
[其他] 澳大利亚博士研究生奖学金-第一性原理计算    ( 1 2 ) (17/2614) 铁昂笑 2012-09-06 2012-09-08 11:58:54 by 铁昂笑
[QE(Pwsc ] 【求助】Bi的超软赝势产生 (10/2467) identation 2010-12-14 2012-09-08 09:02:46 by souledge
[Vasp&Me ] 斜的unit vector該如何變成直的 (2/399) lalaloyo500 2012-09-07 2012-09-08 08:27:14 by chenweiguang
[Vasp&Me ] VASP上的MAGMON方向問題 (3/750) lalaloyo500 2012-09-05 2012-09-07 15:33:39 by lalaloyo500
[MS] 我算出来的Au原子能量,似乎不太靠谱 (2/723) chenxin1992 2012-09-06 2012-09-07 11:52:33 by chenxin1992
[MS] 【求助】castep计算声子谱,为什么不能进行振动分析 (9/4653) 冰雨雾 2011-03-02 2012-09-07 09:22:26 by mhslee
[Vasp&Me ] VASP 软件价格 (14/3547) 026li 2012-09-05 2012-09-06 18:28:10 by chenxin1992
[版务] 关于版主评阅线提升问题 (评阅+3) (1/354) liliangfang 2012-09-06 2012-09-06 10:06:38 by 御剑江湖
[Vasp&Me ] [关贴]反应路径计算(NEB&CNEB) (评阅+1) (12/5139) cenwanglai 2012-07-26 2012-09-06 09:38:10 by cenwanglai
[Vasp&Me ] VESTA的漏洞,大家看看是怎么回事 (5/2007) chenxin1992 2012-09-04 2012-09-05 16:58:01 by enola
[热点前沿 ] Armchair型石墨烯有磁性吗? (3/1312) sibyl1109 2012-07-16 2012-09-05 04:58:51 by lfhuang
[资源] 能带图中耗尽区的能带宽度变窄为什么 (0/738) highpy 2012-09-03 2012-09-03 22:07:20 by highpy
[MS] 【求助】Ms在linux上的安装问题    ( 1 2 ) (11/2567) mazuju028 2010-05-21 2012-09-03 13:27:22 by Yolanda7
[其他] gibbs计算体弹模量B出现拐点,为什么??? (14/1212) zhuzhudgyg 2012-08-28 2012-09-03 11:04:35 by c_and_c
[热点前沿 ] 这个轨道图是怎么做出来的 (18/1748) cj4566 2012-08-30 2012-09-03 08:09:00 by cj4566
[其他] 安装materials studio5.5时license不能安装……错误如下& (9/2965) 山涧飞鸟 2012-03-13 2012-09-03 05:42:38 by 514709618
[热点前沿 ] binding energy还是adsorption energy ? (3/1382) hakuna 2012-08-31 2012-09-02 22:09:28 by Joannaouc
[Vasp&Me ] 【求助完毕】电荷密度的颜色标尺怎么做?    ( 1 2 ) (评阅+1) (18/3180) cenwanglai 2010-09-07 2012-09-02 19:18:01 by cenwanglai
[其他] 手工绘制电荷密度图    ( 1 2 ) (13/1999) sunboyccc 2011-12-30 2012-09-02 14:27:50 by tuhonghao
[Vasp&Me ] vasp计算AFM体系磁矩不为0,求解 (2/1777) dwd0826 2012-08-31 2012-09-02 10:28:16 by dwd0826
[热点前沿 ] 大家有没有听说过这个DFT的软件 Advance\PHASE (0/333) 微乱球衣 2012-09-01 2012-09-01 21:19:04 by 微乱球衣
[MS] 【求助】关于Dmol3磁性计算 (6/2455) peterman 2009-09-06 2012-09-01 12:52:13 by 杨寻
[QE(Pwsc ] 用ICC还是GCC编译? (3/1442) ridge8888 2012-08-23 2012-08-31 21:30:14 by ridge8888
[MS] [关贴]【原创】吸附位点模拟 (评阅-2) (1/1434) 304420255 2010-10-29 2012-08-31 17:12:44 by franch
[其他] PDOS的作法 (14/1655) 狗狗529 2012-07-27 2012-08-31 16:36:00 by wangjb401
[Vasp&Me ] VASP计算论文一篇(含response,支持信息和正文修改痕迹)(校稿已经上传)    ( 1 2 3 4 5 ) (评阅+10) (48/4619) cenwanglai 2012-03-08 2012-08-31 06:21:04 by cenwanglai
[热点前沿 ] 计算吸附BSSE与ZPE零点校正 (0/1518) 026li 2012-08-30 2012-08-30 09:12:55 by 026li
[Wien2k& ] linearization energy (0/366) umklapp 2012-08-30 2012-08-30 00:13:06 by umklapp
[MS] 如何从态密度判断键之间杂化强弱 (15/7453) lillian0619 2012-03-29 2012-08-29 16:49:54 by yxz476440843
[Vasp&Me ] 能带计算问题 (7/1103) forestwolf9291 2012-08-08 2012-08-29 12:58:17 by forestwolf9291
[版务] 假期值日报道贴    ( 1 2 3 4 5 6 ) (54/2763) liliangfang 2012-07-05 2012-08-29 09:39:06 by xueht987
[MS] 第一性原理计算的主流期刊什么? (5/2366) hwceng0816 2012-08-26 2012-08-28 16:24:35 by hwceng0816
[热点前沿 ] smearing越小,k点就要取得越大? (7/1396) gemucai 2012-08-24 2012-08-28 08:05:22 by gemucai
[MS] 【求助】如何得到配位数 (4/1674) amynihao 2010-12-10 2012-08-28 05:56:14 by xujc1983
[MS] 【求助】在ubuntu下安装ms 4.2失败    ( 1 2 3 4 ) (35/3646) w2056275 2009-07-09 2012-08-27 18:03:20 by ykhcc88
[Vasp&Me ] VASP关键词详解 (3/662) qiaohongbo 2012-08-24 2012-08-27 09:24:07 by future_wl
[MS] 关于简单读取态密度图和能带信息的方法 (13/6159) hwceng0816 2012-03-25 2012-08-27 08:56:12 by k_now
[MS] 【求助】晶格参数如何优化?    ( 1 2 ) (14/1800) huangye2001 2010-10-25 2012-08-27 06:56:00 by lrjhxh
[Vasp&Me ] VASP结构优化时,有没有自动记录每个离子步结构坐标的功能? (8/3105) byin 2011-08-14 2012-08-26 13:53:24 by 你给我起名
[热点前沿 ] 真空板问题 (2/354) jmsdxyf 2012-08-20 2012-08-25 21:01:15 by jmsdxyf
[热点前沿 ] 求助两个问题 关于电子密度和能带 (2/852) liuhaoshu11 2012-08-24 2012-08-25 11:19:56 by stractor
[热点前沿 ] 随着压力增大 能带宽度的变化 (8/1860) pevil 2012-08-22 2012-08-24 22:33:33 by stractor
[MS] 纳米线建模的两个想法 (10/2379) forestwolf9291 2012-07-12 2012-08-24 21:29:19 by forestwolf9291
[MS] 【求助】能量单位Ry(累的包)和eV的转换关系 (9/4742) wwgaochao 2010-08-10 2012-08-24 07:26:04 by 王正伟
[其他] n型掺杂Fe2O3的电子输运性质(Nano Letter, 2011):embedded cluster + ECPs (12/2818) cenwanglai 2012-08-20 2012-08-23 20:54:32 by xingisme
[MS] MS6.0 Linux 安装 (6/838) wzffighting 2012-08-21 2012-08-22 22:05:35 by neu234
[其他] 如何判断是间隙位置好还是替位位置好? (16/1831) wyding 2012-08-17 2012-08-21 21:13:35 by randeqiang
[MS] 【求助】dmol优化能量震荡,不收敛怎么办 (9/2453) yshl7237 2011-03-24 2012-08-21 13:25:28 by fyh987
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