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[热点] 读博 17制药周凯 2025-12-15 刚刚
[热点前沿 ] 【原创】2010全国百优博士论文公布了! (9/1936) 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 ) (10/1292) flymice 2010-10-01 2010-12-10 16:48:28 by flymice
[热点前沿 ] 【求助】free-standing (0/207) 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 (2/439) 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 ) (13/3422) gfei2008 2009-09-16 2010-12-10 12:05:06 by qx08131989
[Vasp&Me ] 【求助】origin (9/1248) 4010808 2010-12-09 2010-12-10 11:41:07 by songdewang
[Vasp&Me ] 【求助】关于IBZKPT (5/2183) 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? (0/637) 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 (6/1168) 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? (9/1326) huijiany 2010-11-16 2010-12-10 08:23:04 by hakuna
[MS] 【求助】linux 系统 (5/910) 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 (8/930) 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 (1/399) wdlmm1214 2010-12-09 2010-12-09 21:56:24 by zzy870720z
[Vasp&Me ] 【求助】vasp计算磁矩 (3/2023) 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 (0/779) 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? (2/1303) sendy 2010-12-09 2010-12-09 19:52:11 by yqfan
[Vasp&Me ] 【求助】vasp energy (3/510) lgxyz 2010-12-09 2010-12-09 19:32:41 by bingmou
[MS] 【求助】关于分数坐标! (4/1642) 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 (2/401) flymice 2010-12-08 2010-12-09 18:38:31 by flymice
[Siesta& ] 【求助】siesta中的anneal如何实现? (9/1064) yangjun102 2010-03-31 2010-12-09 16:29:32 by yangjun102
[MS] 【求助】graphene结构怎么建 (1/252) 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? (2/325) cuimingshan 2010-12-09 2010-12-09 15:00:27 by cuimingshan
[MS] 【求助】dmol 画PDOS (0/174) 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 (1/709) 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? (2/412) flymice 2010-12-08 2010-12-09 13:36:05 by boylc789
[Vasp&Me ] 【求助】WARNING: PSMAXN for non-local potential too small (2/10686) 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 (1/251) 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 ) (118/2382) youzhizhe 2010-12-08 2010-12-09 11:03:34 by xiaohunhun
[Vasp&Me ] 【求助】vasp并行出错 (5/902) 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??? (6/2436) 稔孑 2010-11-18 2010-12-09 10:18:49 by sendy
[Wien2k& ] 【求助】峰分离技术 (1/295) lan徉yang 2010-12-06 2010-12-09 09:48:39 by 519288691
[MS] 【求助】自旋电荷密度 (0/1078) 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 (3/574) 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 (0/760) 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 (0/282) 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 (0/211) 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) (306/7082) sunyang1988 2010-12-07 2010-12-08 23:26:04 by rollingjack
[MS] 【求助】linux下安装MS (2/651) sunzhiguo 2010-12-08 2010-12-08 22:21:32 by zzy870720z
[Vasp&Me ] 【求助】warning (7/1224) 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 ) (15/4001) 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 (4/532) 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 (8/6091) fengshiquan 2010-12-08 2010-12-08 17:51:32 by fengshiquan
[QE(Pwsc ] 【求助】声子计算的疑问 (3/823) identation 2010-12-07 2010-12-08 15:12:45 by huazhorg
[MS] 【求助】NaY建模问题 (3/602) sunzhiguo 2010-11-14 2010-12-08 14:54:36 by sunzhiguo
[Vasp&Me ] 【求助】关于vasp的问题 (4/600) 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 (4/890) 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 (3/1167) 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 (3/1599) lovemoon 2010-12-06 2010-12-08 08:59:35 by lovemoon
[MS] 【求助】吸附的疑惑 (5/1062) 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? (6/1801) 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 (10/1606) 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 (2/468) 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? (0/245) 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 (15/1784) 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 (4/806) 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 (2/622) erghper 2010-12-07 2010-12-07 15:11:24 by erghper
[MS] 【求助】castep隐藏文件的问题 (3/679) 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~~! (3/586) 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? (2/356) wang1234wxj 2010-12-07 2010-12-07 12:19:49 by zzy870720z
[MS] 【求助】CASTEP中GGA的适用范围 (2/510) 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? (4/1366) 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? (6/1762) 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 (0/772) 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 (0/477) 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 (4/1149) 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 (2/878) liuhongge1 2010-11-05 2010-12-06 21:56:57 by lishufei
[热点前沿 ] 【求助】计算超导用哪个软件好? (9/1705) yanwanjun 2010-12-01 2010-12-06 21:27:25 by yanwanjun
[Vasp&Me ] 【求助】LORBIT=12时输出的PROCAR是什么意思啊? (1/1492) liuhuimeiwoo 2010-12-05 2010-12-06 18:46:43 by liuhuimeiwoo
[MS] 【求助】CASTEP计算缺陷时 (1/489) dlthl 2010-12-06 2010-12-06 18:38:25 by bashen1
[MS] [专家] 【求助】如何使用CASTEP计算相稳定 (5/951) souledge 2010-12-06 2010-12-06 18:27:25 by souledge
[MS] 【求助成功】CCDC+MS输入的问题(求大侠们帮忙) (9/1149) yasistar 2010-11-25 2010-12-06 18:26:17 by yasistar
[Siesta& ] 【求助】哪儿能下载做得比较好的siesta赝势文件 (3/1445) zcntydyd 2010-11-29 2010-12-06 17:58:31 by zcntydyd
[MS] 【求助】ms算荧光效率 (0/324) scq123 2010-12-06 2010-12-06 17:19:40 by scq123
[MS] 【求助】请问MS哪个模块可以算熔点? (3/621) ym23 2010-12-06 2010-12-06 16:32:22 by 锐利的碎片
[MS] 【求助】MS5.0计算能带出现问题! (2/615) nextnest 2010-12-06 2010-12-06 15:35:09 by nextnest
[Vasp&Me ] 【求助】谁能 给 个 vasp 5.2或者较新版本 的 下载地址链接 (6/710) btvipvip 2010-12-05 2010-12-06 11:24:10 by skyscorpioa
[MS] 【求助】单点能与结构优化的最低能的关系 (5/2575) pingping6396 2009-09-21 2010-12-06 10:52:26 by xiaoqian830606
[Vasp&Me ] 【求助】slab模型真空层厚度的选取 (1/1295) songdewang 2010-12-06 2010-12-06 10:29:22 by sunyang1988
[Vasp&Me ] 【求助】VASP,POTCAR中 RCORE的单位,埃还是波尔? (1/1265) heshun 2010-12-06 2010-12-06 10:24:35 by fzx2008
[Vasp&Me ] 【求助】vasp可以算cluster吗? (8/761) lgxyz 2010-09-02 2010-12-06 09:25:51 by qkzh3091
[Abinit] 【求助】怎么用MS建模后在Abinit上使用 (2/426) xumc2000 2010-12-04 2010-12-06 09:19:44 by fengshiquan
[Vasp&Me ] 【求助】自旋极化计算,一种自旋对磁矩的贡献 (0/877) 小木虫于 2010-12-06 2010-12-06 08:51:26 by 小木虫于
[Vasp&Me ] 【求助】only gamma version 与仅一个k点一样么 (2/352) 小木虫于 2010-12-05 2010-12-06 08:28:15 by 小木虫于
[其他] 【求助】关于俄国软件priroda (6/1261) uuv2010 2010-03-18 2010-12-06 07:56:29 by lihb734
[Vasp&Me ] 【求助】如何在vasp中指定某个元素的价态 (6/2223) 灯塔守望者 2010-12-05 2010-12-06 04:08:00 by jghe
[Vasp&Me ] 【求助】求个VENUS (1/275) wanghui381 2010-12-03 2010-12-05 23:02:05 by wanghui381
[Vasp&Me ] 【求助】DOSCAR态密度里面的数据如何分离 (5/1247) ustbwgs 2010-12-05 2010-12-05 20:55:42 by stractor
[Vasp&Me ] 【求助】Vasp&MedeA软件4.6或以上版本    ( 1 2 ) (13/2509) smile8932 2010-01-06 2010-12-05 19:08:12 by 灯塔守望者
[MS] 【求助】请问我在计算电荷密度的时候怎么把下面图中的切片搞出来? (4/912) wyez 2010-12-05 2010-12-05 18:37:43 by sunyang1988
[MS] 【求助】MS 优化选取晶胞还是原胞 (2/2220) heihu120 2010-12-05 2010-12-05 17:49:43 by heihu120
[热点前沿 ] 【求助】关于PARRINELLO-RAHMAN加压方法 (1/635) zsjan 2010-11-19 2010-12-05 15:53:41 by xk6891
[MS] 【求助】Li2Ti2O4如何建模 (0/494) lywhit 2010-12-05 2010-12-05 15:31:11 by lywhit
[Vasp&Me ] 【分享】计算与模拟研究 (评阅+5) (5/775) 江山2010 2010-11-25 2010-12-05 13:21:40 by Jldbaobei
[MS] 【求助】ms4.0 linux版 下批处理    ( 1 2 ) (14/1352) lishufei 2010-05-18 2010-12-05 11:10:24 by lishufei
[Vasp&Me ] 【求助】菜鸟求教:解答procar问题! (3/524) liuhuimeiwoo 2010-12-02 2010-12-05 11:07:21 by liuhuimeiwoo
[Vasp&Me ] [关贴]【求助】vasp5 光学计算结果问题 (4/2529) chanlar 2010-12-04 2010-12-05 10:12:16 by 282926214
[Abinit] [关贴]【求助】用abinit在并行机上做scf+GW可以做多大体系?    ( 1 2 ) (10/1030) miaozhang 2010-10-08 2010-12-05 09:54:57 by miaozhang
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