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[热点] 售SCI文章,我:8O.5.5.1O.54,科目全,可十急 X5bHxOULxFqb 2026-11-02 刚刚
[Siesta& ] 【求助】有哪位高手能够在这儿给大家讲解一下siesta中如何通过simplex去优化基组! (6/1956) zhangguangping 2010-10-13 2010-12-12 21:33:47 by zhangguangping
[Siesta& ] 【求助】transmission spectrum and transmission coefficients (4/2349) kaypu 2010-12-10 2010-12-12 20:48:13 by kaypu
[MS] 【求助】Dmol3 (4/1314) guohui_Hao 2010-12-10 2010-12-12 18:30:47 by guohui_Hao
[其他] 【求助】求文献两篇 (0/230) yhzhou 2010-12-12 2010-12-12 17:35:59 by yhzhou
[Siesta& ] 【求助】请教PDOS选项中的取点密度问题 (2/829) freewain 2010-12-10 2010-12-12 15:35:51 by freewain
[MS] 【求助】ELNES和XANES (1/932) dlthl 2010-12-12 2010-12-12 14:50:07 by 锐利的碎片
[Wien2k& ] 【求助】wien2k-FAQ实在是看不懂,哪位高手帮我翻译下? (2/1604) snowmami 2010-12-08 2010-12-12 14:26:05 by snowmami
[Wien2k& ] 【求助】怪事!自旋极化计算得到的态密度图Spin up和Spin down完全一样 (4/2861) snowmami 2010-12-07 2010-12-12 14:13:53 by snowmami
[Wien2k& ] 【求助】wien2k的分波态密度如何设定 (2/1410) 改王之王 2010-12-12 2010-12-12 13:36:10 by liuxiaocunde
[其他] 【求助】warning 求助 (2/1104) liqian16 2010-12-09 2010-12-12 12:57:42 by liqian16
[MS] 【求助】如何安装MS (2/421) Jackqiqi 2010-12-11 2010-12-12 09:31:52 by lbambool
[QE(Pwsc ] 【求助】怎样区分LO模和TO模    ( 1 2 ) (11/2981) maxwellscu 2010-10-30 2010-12-12 09:21:17 by newton3915
[其他] 【求助】binding energy 怎么计算? (0/1392) wang1234wxj 2010-12-12 2010-12-12 09:20:59 by wang1234wxj
[Vasp&Me ] 【求助】关于VASP编译时候的选项 (1/360) zsjan 2010-12-06 2010-12-12 08:43:25 by spatial
[MS] 【求助】关于MS5.0中DMol3的gateway的问题 (2/704) lgl615427 2010-12-11 2010-12-11 23:02:34 by lbambool
[MS] 【求助】怎样使用HOMO,LUMO分析 (7/2608) wang1234wxj 2010-12-10 2010-12-11 22:21:49 by 阚敏
[QE(Pwsc ] 【求助】晶格优化崩溃? (1/663) 暖秋 2010-12-11 2010-12-11 19:27:24 by 暖秋
[Vasp&Me ] 【求助】dos计算出错 (2/784) songdewang 2010-12-10 2010-12-11 16:40:15 by chimegreen
[MS] 【求助】请问怎样进行介观模拟 (0/225) tianya0108 2010-12-11 2010-12-11 15:54:22 by tianya0108
[QE(Pwsc ] 【求助】PWscf晶格优化(bfgs) (5/1503) 暖秋 2010-12-10 2010-12-11 15:33:27 by 改王之王
[Vasp&Me ] 【求助】test out (1/406) 4010808 2010-12-11 2010-12-11 13:56:58 by heshiqing168
[其他] [关贴]【分享】第一性原理版斑竹招新(非诚勿扰) (评阅+5) (7/1914) aylayl08 2010-10-10 2010-12-11 11:21:28 by zhang668
[MS] 【求助】materials studio的重新安装出错 (3/1226) reveru 2010-12-10 2010-12-11 09:25:14 by hbhehe
[MS] 【求助成功】AmorphousCellConst 无定形晶胞构建时出错,求助解决方法,谢谢 (4/2803) fly771125 2010-11-05 2010-12-11 03:01:07 by fly771125
[MS] [关贴]【分享】天津大学材料科学基础 (1/399) hbcsucy 2010-11-21 2010-12-11 00:21:59 by niuroumian
[MS] 【求助】如何研究过度金属团簇吸附小分子? (3/1238) hhuwanghui 2010-12-10 2010-12-11 00:06:16 by ym23
[QE(Pwsc ] 【求助】画example-06的alas色散曲线图 (3/1028) 改王之王 2010-12-10 2010-12-10 22:25:15 by 改王之王
[Vasp&Me ] 【求助】VASP怎么做晶格参数的结构优化 (17/5078) bluegirlll 2010-12-07 2010-12-10 21:52:34 by zhang_jaj
[其他] 【求助】linux操作的所有引号的区别及用法 (5/1072) 75150618 2010-12-09 2010-12-10 20:14:52 by xujc1983
[Vasp&Me ] 【求助】lev00 (4/939) 4010808 2010-12-06 2010-12-10 19:57:08 by 4010808
[热点前沿 ] 【原创】2010全国百优博士论文公布了! (9/2408) goldenfisher 2010-08-03 2010-12-10 18:18:02 by stractor
[MS] 【求助成功】求ms安装建议    ( 1 2 ) (10/1672) flymice 2010-10-01 2010-12-10 16:48:28 by flymice
[热点前沿 ] 【求助】free-standing (0/269) xx2008 2010-12-10 2010-12-10 16:38:59 by xx2008
[Siesta& ] 【求助】siesta计算coop时,产生mprop可执行文件时,提醒错误 (2/544) wanglianli136 2010-12-03 2010-12-10 13:39:21 by vv_china
[Abinit] 【求助】Abinit 是免费的软件吗??    ( 1 2 ) (13/3908) gfei2008 2009-09-16 2010-12-10 12:05:06 by qx08131989
[Vasp&Me ] 【求助】origin (9/1630) 4010808 2010-12-09 2010-12-10 11:41:07 by songdewang
[Vasp&Me ] 【求助】关于IBZKPT (5/2547) wanglei200 2010-12-01 2010-12-10 11:18:06 by leo肖
[MS] 【求助】MS中如何把一个小分子插入到另一个分子结构图中? (0/689) sendy 2010-12-10 2010-12-10 11:14:15 by sendy
[MS] 【求助】费米能级相关问题求助 (6/1573) zhanglx8632 2010-10-25 2010-12-10 09:52:53 by guolianshun
[Vasp&Me ] 【求助】如何画VASP的计算结果的HOMO轨道? (9/1695) huijiany 2010-11-16 2010-12-10 08:23:04 by hakuna
[MS] 【求助】linux 系统 (5/1226) sss3012 2010-12-08 2010-12-10 00:16:40 by xujc1983
[Vasp&Me ] 【求助】我的原子链优化后变成分子团了 (8/1393) sxjsn1 2010-12-08 2010-12-09 22:06:16 by sxjsn1
[QE(Pwsc ] 【求助】求助pwscf网站上所有超软赝势 (1/482) wdlmm1214 2010-12-09 2010-12-09 21:56:24 by zzy870720z
[Vasp&Me ] 【求助】vasp计算磁矩 (3/2424) 小木虫于 2010-12-05 2010-12-09 20:56:11 by 漂浮的萸
[MS] 【求助】MS不能提交声子谱计算 (0/819) qx08131989 2010-12-09 2010-12-09 20:16:03 by qx08131989
[MS] 【求助】castep计算dos时,怎么计算某个原子的分波态密度? (2/1444) sendy 2010-12-09 2010-12-09 19:52:11 by yqfan
[Vasp&Me ] 【求助】vasp energy (3/638) lgxyz 2010-12-09 2010-12-09 19:32:41 by bingmou
[MS] 【求助】关于分数坐标! (4/1881) wh_xy 2010-12-08 2010-12-09 19:32:05 by bingmou
[MS] 【求助成功】求问一个ms5.0的问题 (2/487) flymice 2010-12-08 2010-12-09 18:38:31 by flymice
[Siesta& ] 【求助】siesta中的anneal如何实现? (9/1423) yangjun102 2010-03-31 2010-12-09 16:29:32 by yangjun102
[MS] 【求助】graphene结构怎么建 (1/334) whiteman 2010-12-09 2010-12-09 15:49:18 by lovemoon
[其他] 【求助】哪位大侠能简要的说说DFT计算步骤? (2/424) cuimingshan 2010-12-09 2010-12-09 15:00:27 by cuimingshan
[MS] 【求助】dmol 画PDOS (0/226) lxrui 2010-12-09 2010-12-09 14:56:03 by lxrui
[其他] 【求助】绝对零度对于计算的影响 (1/786) sidney_lz 2010-12-08 2010-12-09 14:45:56 by sidney_lz
[MS] 【求助】求问ms用本机算和用服务器的区别? (2/510) flymice 2010-12-08 2010-12-09 13:36:05 by boylc789
[Vasp&Me ] 【求助】WARNING: PSMAXN for non-local potential too small (2/10899) Prettyswan 2010-12-07 2010-12-09 13:17:34 by Prettyswan
[Vasp&Me ] 【求助】文件逐行读取如何操作 (1/322) 江山2010 2010-12-08 2010-12-09 11:20:52 by fanchen021
[其他] 【散尽结束,谢谢所有祝福】版主youzhizhe转正散金啦 100bb ~    ( 1 2 3 ) (118/3233) youzhizhe 2010-12-08 2010-12-09 11:03:34 by xiaohunhun
[Vasp&Me ] 【求助】vasp并行出错 (5/1539) SPRII 2010-12-08 2010-12-09 10:33:55 by zzy870720z
[MS] 【求助】MS5.5的License问题 如何安装??? (6/2943) 稔孑 2010-11-18 2010-12-09 10:18:49 by sendy
[Wien2k& ] 【求助】峰分离技术 (1/388) lan徉yang 2010-12-06 2010-12-09 09:48:39 by 519288691
[MS] 【求助】自旋电荷密度 (0/1173) sss3012 2010-12-09 2010-12-09 08:59:30 by sss3012
[其他] 【其他】截止能与轨道截止条件 (3/719) wang1234wxj 2010-12-08 2010-12-09 08:50:36 by zzy870720z
[MS] 【求助】dmol得到的**.grd结果怎么用origin作图 (0/859) shengfengyu 2010-12-08 2010-12-09 08:27:22 by shengfengyu
[其他] 【求助】可以计算非线性系数的软件有哪些,并请各位简单介绍其原理和可靠度 (0/342) zhmj 2010-12-08 2010-12-09 08:26:06 by zhmj
[MS] 【求助】Gulp 几何优化后结构没变化 (0/335) ym23 2010-12-08 2010-12-09 08:25:23 by ym23
[其他] [关贴]【其他】转正了,谢谢大家的支持,来拿BB吧    ( 1 2 3 4 5 6 .. 7 ) (评阅+100) (306/9889) sunyang1988 2010-12-07 2010-12-08 23:26:04 by rollingjack
[MS] 【求助】linux下安装MS (2/781) sunzhiguo 2010-12-08 2010-12-08 22:21:32 by zzy870720z
[Vasp&Me ] 【求助】warning (7/1626) wanglei200 2010-12-07 2010-12-08 22:05:15 by wanglei200
[MS] 【求助】请问如何从态密度上看共价键成分占多少,离子键成分占多少    ( 1 2 ) (15/4613) chunying 2009-08-30 2010-12-08 21:09:33 by nextnest
[其他] [关贴]【求助】在Mg-Al LDHs中遇到的问题 (4/752) lucky560 2010-12-08 2010-12-08 19:01:56 by lucky560
[Vasp&Me ] 【求助成功】如何合并POTCAR文件 (8/6523) fengshiquan 2010-12-08 2010-12-08 17:51:32 by fengshiquan
[QE(Pwsc ] 【求助】声子计算的疑问 (3/1062) identation 2010-12-07 2010-12-08 15:12:45 by huazhorg
[MS] 【求助】NaY建模问题 (3/814) sunzhiguo 2010-11-14 2010-12-08 14:54:36 by sunzhiguo
[Vasp&Me ] 【求助】关于vasp的问题 (4/801) nww346 2010-11-21 2010-12-08 11:06:56 by nww346
[Vasp&Me ] 【求助】多原子体系的态密度怎么画图 (4/1146) ustbwgs 2010-12-05 2010-12-08 10:44:02 by ustbwgs
[MS] 【求助】聚合物与金属氧化物的相互作用计算问题 (3/1465) lavinia 2009-10-15 2010-12-08 10:28:51 by cg陈
[Siesta& ] 【求助】请问在siesta中计算得到的能带怎么画出来 (3/1957) lovemoon 2010-12-06 2010-12-08 08:59:35 by lovemoon
[MS] 【求助】吸附的疑惑 (5/1437) liuhongge1 2010-12-07 2010-12-08 08:56:02 by vv_china
[Vasp&Me ] 【求助完毕】VASP结构优化时离子步原子是如何移动的? (6/2387) cenwanglai 2010-12-03 2010-12-07 20:51:59 by gavinliu7390
[Vasp&Me ] 【求助】虫友们对ISIF取值有什么高见呢 (10/2172) ustbwgs 2010-12-07 2010-12-07 20:46:09 by gavinliu7390
[MS] 【求助】Materials Studio linux版 license sever的系统配置文件放在什么位置 (2/587) suyi20466975 2010-10-21 2010-12-07 18:39:08 by suyi20466975
[MS] 【求助】间隙原子对半导体光电性能的影响? (0/301) freshman8185 2010-12-07 2010-12-07 18:03:49 by freshman8185
[MS] 【求助】MS4.3在服务器上的使用问题 (15/2432) shelay 2010-12-06 2010-12-07 17:46:17 by shelay
[Vasp&Me ] 【求助】vasp能进行全电子计算么 (4/1015) 小木虫于 2010-12-07 2010-12-07 17:02:22 by 小木虫于
[Vasp&Me ] 【求助】如何提高下列vasp脚本的运行效率 (2/797) erghper 2010-12-07 2010-12-07 15:11:24 by erghper
[MS] 【求助】castep隐藏文件的问题 (3/884) gengw07 2010-12-07 2010-12-07 14:13:53 by ustbwgs
[热点前沿 ] 【求助】Crystal 软件关于半导体材料方面的文献~~! (3/753) candyaaa 2010-12-07 2010-12-07 13:55:53 by candyaaa
[其他] [关贴]【求助】哪位高人有origin学习资料? (2/475) wang1234wxj 2010-12-07 2010-12-07 12:19:49 by zzy870720z
[MS] 【求助】CASTEP中GGA的适用范围 (2/613) dlthl 2010-12-06 2010-12-07 11:46:43 by ym23
[Siesta& ] 【求助】transiesta计算输运可算多大体系? (4/1678) miaozhang 2010-12-06 2010-12-07 11:17:01 by miaozhang
【求助】请问Dmol3计算TS search怎么解决? (6/2178) xiekf1985 2009-06-02 2010-12-07 10:37:03 by lishufei
[Vasp&Me ] 【求助】请教VASP跑DFT+U计算的几个问题 (0/911) zcntydyd 2010-12-06 2010-12-06 23:58:23 by zcntydyd
[QE(Pwsc ] 【求助】画声子色散曲线时出错 (0/544) 改王之王 2010-12-06 2010-12-06 22:25:43 by 改王之王
[其他] 【其他】讨论下ZnO原子坐标输入方法 (4/1510) 改王之王 2010-12-05 2010-12-06 22:20:16 by 改王之王
[MS] 【求助】nudged elastic band 在CASTEP里怎么实现 (2/1140) liuhongge1 2010-11-05 2010-12-06 21:56:57 by lishufei
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