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[热点] 基金正文30页指的是报告正文还是整个申请书 successhe 2026-02-22 刚刚
[Vasp&Me ] [已完结]VASP+SOC后的能带计算    ( 1 2 3 ) (21/10039) leehb870605 2011-12-27 2016-11-14 20:00:46 by NickyHCQ
[Vasp&Me ] [已完结]压电计算-收集计算方法! (5/2949) Gina88 2013-01-21 2016-11-14 17:35:41 by obaica
[其他] [已完结]态密度分布图怎么分析啊?初学者求大神 (2/1156) wzp 22 2016-11-11 2016-11-14 14:26:57 by 从心而觅
[MS] [已完结]castep求助 (2/930) duanwujie 2016-11-11 2016-11-14 13:51:09 by duanwujie
[Vasp&Me ] [已完结]VASP (5/935) 挥挥一手 2016-11-11 2016-11-14 09:19:06 by 挥挥一手
[MS] [已完结]处于亚稳定态的金属合金团簇可以做氧化还原反应的催化剂吗? (1/531) 剑雨孤星 2016-11-13 2016-11-14 09:02:48 by happylbg
[MS] [已完结]纯新手求助MS使用 (4/625) bill686433 2012-02-17 2016-11-14 08:24:38 by 木木哇偶
[Vasp&Me ] [已完结]介电函数 (1/478) jx在路上 2016-11-13 2016-11-13 22:13:27 by jx在路上
[其他] [已完结]请教下sybyl中氨基酸名字的颜色怎么改变?改成红色 (4/1940) wlx1213wlx 2016-08-15 2016-11-13 18:25:54 by 刘执坤
[Vasp&Me ] [已完结]介电函数 (1/626) jx在路上 2016-11-13 2016-11-13 16:52:08 by jx在路上
[MS] [已完结]如何选择某个晶面的电荷密度图呢? (3/655) lovename 2016-11-09 2016-11-13 16:24:29 by alenzhang
[Siesta& ] [已完结]如何用atk计算量子点ZnO的光谱性质,首先怎么搭建这个器件 (1/528) crooked17 2016-11-09 2016-11-13 12:24:01 by 雨中奔跑
[Vasp&Me ] [已完结]电荷密度图 (9/1950) 笑然49 2016-11-04 2016-11-13 09:52:48 by garden2012
[资源] [已完结]求一篇用不同方法计算带隙对比的文献 (2/547) 从心而觅 2016-11-11 2016-11-13 09:33:33 by 从心而觅
[MS] [已完结]关于第一性原理和分子动力学模拟,还有ms软件 (9/5071) 409702500 2012-02-22 2016-11-13 06:27:57 by garden2012
[Vasp&Me ] [已完结]新手学习vasp遇到问题求帮助    ( 1 2 ) (13/1216) skywilliam 2016-11-08 2016-11-12 23:46:19 by 岁月Silence
[其他] [已完结]vasp怎样查看晶格常数 (7/3066) 盛如雨夏 2016-11-10 2016-11-12 23:27:19 by 岁月Silence
[热点前沿 ] [已完结]费米能级附近为什么出现电子态? (2/2686) dlch 2016-11-12 2016-11-12 18:09:11 by dlch
[QE(Pwsc ] [已完结]average.x 计算宏观静电势效率如何? (2/1157) queendence 2016-10-10 2016-11-12 16:47:24 by queendence
[MS] [已完结]用MS如何建立Mg的六方密排结构    ( 1 2 ) (12/3127) 1306256567 2013-07-16 2016-11-12 16:13:42 by dingx
[MS] [已完结]光学吸收公式中 小写的omiga是什么 怎么算 就是那个像w一样的字母 (6/2022) 何处飘零 2016-11-07 2016-11-12 15:14:22 by lwx098
[Vasp&Me ] [已完结]E-V图 (7/1247) shttp125 2016-11-11 2016-11-12 09:50:18 by 漫天飘雪
[Vasp&Me ] [已完结]能量体积E-V 计算的困惑    ( 1 2 ) (17/2378) lulutiantian 2014-05-13 2016-11-12 07:07:17 by 温杨树
[资源] [已完结]三斜晶体的波恩弹性稳定性判据 (9/2772) yyguliang 2016-10-04 2016-11-11 14:46:13 by fanqy1991
[其他] [已完结]请问这种短横线上加圆圈的这种图用origin如何实现? (8/5298) enjoyharry 2016-11-07 2016-11-11 12:11:57 by 爱的疯子
[其他] [已完结]有关MS中原子不成键问题    ( 1 2 ) (19/3791) pcczhouwei 2016-11-03 2016-11-11 08:04:30 by pcczhouwei
[Vasp&Me ] [已完结]求职怎么建立bcc结构的层错模型啊。。。 (0/921) 潮汐海灵 2016-11-10 2016-11-10 19:52:29 by 潮汐海灵
[MS] [已完结]win10家庭版安装成功后,无法创建3D和打开3D    ( 1 2 ) (10/1904) xgdzzm 2016-11-08 2016-11-10 18:37:03 by 夜寻迷
[Abinit] [已完结]abinit 可以算偏振态的拉曼谱吗?    ( 1 2 ) (10/1308) future_wl 2013-01-26 2016-11-10 18:33:55 by 望在心里wx
[Vasp&Me ] [已完结]VASP 不能计算 (3/668) beibei8311 2016-11-07 2016-11-10 14:43:29 by 不掷骰子
[MS] [已完结]求助: 1、如何在MS中,选取原子的价电子态? (1/945) nanyaniu 2016-11-09 2016-11-10 14:23:20 by nanyaniu
[MS] [已完结]有没有人知道在CASTEP中把非周期性结构变成周期性结构呢? (1/1325) chenxiaoqian 2016-11-07 2016-11-10 10:56:35 by YorzZhang
[Vasp&Me ] [已完结]求助结构优化的磁矩处理 (0/396) wangcuncun 2016-11-10 2016-11-10 10:35:38 by wangcuncun
[MS] [已完结]合金建模中怎样通过室温密度决定超胞大小? (1/519) meizhixin 2016-11-10 2016-11-10 09:51:28 by meizhixin
[热点前沿 ] [已完结]计算吸附的问题 (3/645) 548446557 2016-11-09 2016-11-10 09:00:37 by lion_tiger
[Abinit] [已完结]有单独安装过bigdft的吗 (2/951) sdwawa 2015-09-11 2016-11-10 01:46:18 by jkfdhgsk
[MS] [已完结]MS吸附 (6/1110) lm214019 2011-04-21 2016-11-09 20:27:09 by anxiousluo
[MS] [已完结]计算声子谱遇到问题,求大神指点 (6/1182) chenxiaoqian 2016-10-14 2016-11-09 18:20:33 by chenxiaoqian
[其他] [已完结]电荷密度分析 (3/808) 大爱_小情绪 2016-10-10 2016-11-09 17:08:38 by lovename
[MS] [已完结]想问一下为什么MS经常会出现未响应的情况,谢谢 (5/1700) zhf1019 2012-06-21 2016-11-09 16:11:17 by liuyanbutong
[MS] [已完结]vasp计算界面态密度INCAR参数怎么设置啊?求帮忙 (0/1253) 1154184746 2016-11-09 2016-11-09 11:43:16 by 1154184746
[其他] [已完结]请问石墨烯中C-C键的键能是多少? (1/3822) conperint 2015-06-07 2016-11-09 10:06:23 by 菲顶顶
[MS] [已完结]打开MS时出现以下问题怎么解决?An error while opening the project (2/2409) 傻傻是个傻 2016-11-04 2016-11-09 00:28:02 by 李玥玥
[MS] [已完结]求助,第一次用Amorphous cell建立周期性模型,出现如下问题 (0/300) chenxiaoqian 2016-11-08 2016-11-08 21:54:24 by chenxiaoqian
[热点前沿 ] [已完结]VASP氧原子轨道能级问题 (6/2126) luzihen 2016-11-04 2016-11-08 20:59:16 by luzihen
[Vasp&Me ] [已完结]初学VASP 测试2*2*1的ZnO超胞的ENCUT但是得不到结果    ( 1 2 3 ) (28/1874) lison4 2016-11-04 2016-11-08 20:07:05 by zyl雨田
[Vasp&Me ] [已完结]Cu基体系不收敛,求大神们赐教! (0/338) nico910902 2016-11-08 2016-11-08 17:53:16 by nico910902
[MS] [已完结]求助 怎样计算HER (4/3635) 南宫北塔 2016-11-07 2016-11-08 12:17:52 by 南宫北塔
[MS] [已完结]MS中ELF切面图怎么样画出来 (0/1558) mashuailing 2016-11-08 2016-11-08 10:23:44 by mashuailing
[其他] [已完结]guassian freeze 0,-1,-2,-3是什么意思 (1/659) darknesseye 2016-11-04 2016-11-07 16:40:27 by 极乐禅宗
[MS] [已完结]尖晶石型化合物的建模 (3/906) rayest 2014-07-04 2016-11-07 15:33:46 by ls_lh_1990
[其他] [已完结]计算出的能量为负值    ( 1 2 ) (16/4425) pcczhouwei 2016-11-03 2016-11-07 13:55:10 by pcczhouwei
[QE(Pwsc ] [已完结]如何从PWSCF计算结果中提取计算所得原子位置信息 (8/1544) 无名_303 2016-11-02 2016-11-07 01:01:47 by 无名_303
[MS] [已完结]结构优化不出来是为什么,求各路大神解答!    ( 1 2 3 ) (23/2188) Miss_Ting 2016-11-03 2016-11-07 00:11:22 by 李玥玥
[Vasp&Me ] [已完结]态密度图磁性分析 (6/3298) ljy0725 2014-01-06 2016-11-06 17:58:04 by qianqian0903
[Vasp&Me ] [已完结]Fe的DOS图分析 (8/3771) shiyu_xueshu 2014-09-02 2016-11-06 17:46:36 by qianqian0903
[Vasp&Me ] [已完结]VASP的NEB计算中,怎么分别逐个计算IMAGE呢? (1/830) huanggq2113 2016-11-05 2016-11-06 17:32:06 by HAN_G
[其他] [已完结]求助:CPMD申请毫无音信,求一个账号密码来下载! (1/588) 接着秀 2016-11-05 2016-11-06 16:24:45 by happyday2016
[资源] [已完结]求论文 (4/678) jinjiaji15 2016-11-01 2016-11-05 15:51:20 by jinjiaji15
[MS] [已完结]能量计算结果 (3/776) 猩猩与狒狒 2016-11-02 2016-11-05 11:44:12 by 猩猩与狒狒
[QE(Pwsc ] [已完结]指定kpoint grid无效,这是神马情况 (0/582) léon_WANG 2016-11-05 2016-11-05 08:41:55 by léon_WANG
[Vasp&Me ] [已完结]模拟金属团簇负载到金属氧化物载体上(TiO2,Al2O3等)上的大牛请进! (3/1377) 小小鑫000 2014-08-08 2016-11-05 05:44:08 by valenhou001
[Vasp&Me ] [已完结]请问用phonopy计算 得到的Cp如何转换成Cv啊? (5/1123) lorna639 2016-11-04 2016-11-04 22:16:00 by lorna639
[MS] [已完结]请问有人用MS做过离子吸附吗?    ( 1 2 ) (14/1986) cloverliang 2016-11-02 2016-11-04 21:44:42 by cloverliang
[MS] [已完结]求助 H2Ti2O5.H2O ICSD数据 (2/1012) wandaohzl 2013-05-27 2016-11-04 12:04:16 by wandaohzl
[Vasp&Me ] [已完结]bcc_Fe表面能计算 (1/1128) hlgzhl 2016-11-03 2016-11-04 08:16:09 by 蛋蛋小童鞋
[Vasp&Me ] [已完结]VASP计算ZnO的性质,为什么ENCUT的测试曲线是这个样子的?    ( 1 2 ) (10/1474) 董大瓜 2013-08-09 2016-11-04 07:20:57 by lison4
[Vasp&Me ] [已完结]VTST脚本需要修改才能使用吗? (6/1877) unknown763 2016-11-01 2016-11-03 20:42:49 by unknown763
[Vasp&Me ] [已完结]vasp环境变量libmkl_intel_lp64.so找不到问题 (3/2446) zb3ynf 2016-11-03 2016-11-03 17:56:15 by jpchou
[Vasp&Me ] [已完结]vasp高手解释:考虑自旋轨道 和 Losbit=11 时,PROCAR中有四组分轨道怎么理解    ( 1 2 ) (11/2503) 园中园 2015-12-13 2016-11-03 14:19:37 by zhangsazhang
[MS] [已完结]linux版的castep和ms里的castep版本不对应会有影响吗 (1/617) jugengfans 2016-10-28 2016-11-03 11:23:09 by jugengfans
[热点前沿 ] [已完结]求助表面处理过只有,费米能级负移,价带出现未占据态,表示的是什么意思? (0/721) sunnyang 2016-11-03 2016-11-03 10:51:39 by sunnyang
[MS] [已完结]castep计算过渡态找不到transition state (1/843) linchangfeng 2015-07-14 2016-11-03 10:50:49 by jijun7308
[MS] [已完结]CASTEP过渡态搜索的能量比文献高,但是反应的总能量和文献差不多 (1/498) 奔跑的泰勒 2016-07-12 2016-11-03 10:41:48 by jijun7308
[MS] [已完结]CASTEP计算过渡态问题 (评阅+1) (1/1640) discover001 2016-08-12 2016-11-03 10:36:14 by jijun7308
[Siesta& ] [已完结]VASP警告 (0/431) 18234080845 2016-11-03 2016-11-03 10:16:06 by 18234080845
[MS] [已完结]第一性原理计算晶体应力应变 (2/739) 梁水清浅 2016-06-09 2016-11-03 07:46:11 by Amersly
[MS] [已完结]dmol软件如何设置Multiplicity (8/1160) 78tengfei 2012-05-06 2016-11-03 05:59:00 by 随风逐月
[QE(Pwsc ] [已完结]用PWSCF算,可以两种元素分别用两种不同的赝势吗? (7/1715) conperint 2016-11-02 2016-11-03 02:59:35 by conperint
[MS] [已完结]能量计算 (0/235) 木木暖暖 2016-11-02 2016-11-02 21:07:28 by 木木暖暖
[MS] [已完结]如何求得下边PDF中Bi12O17Br2的CIF数据 (0/328) 轻轻飘过1 2016-11-02 2016-11-02 20:38:28 by 轻轻飘过1
[QE(Pwsc ] [已完结]安装QE时出现如下错误 (1/682) forward0418 2016-11-02 2016-11-02 20:33:28 by forward0418
[MS] [已完结]CASTEP中建立一个石墨烯纳米带建立时真空层设置问题!! (2/2595) yuanjhwhut 2015-04-29 2016-11-02 18:15:55 by 泡泡媛
[QE(Pwsc ] [已完结]vdw_corr,一个似乎很超然的存在    ( 1 2 ) (19/3405) Ireson 2015-05-14 2016-11-02 17:39:41 by tonglijia
[MS] [已完结]请教各位虫友关于在MS中建模问题 (0/420) RoconRen 2016-11-02 2016-11-02 17:05:36 by RoconRen
[Vasp&Me ] [已完结]求助~ 关于 VASP 和 NAO 基组 (0/522) largehoo 2016-11-02 2016-11-02 16:14:47 by largehoo
[MS] [已完结]CASTEP模拟问题求助 (1/466) yanzhizh 2013-04-03 2016-11-02 14:21:41 by lovename
[其他] [已完结]关于calypso调取vasp问题 (5/1647) Marky_Dale 2016-10-28 2016-11-02 12:47:04 by Marky_Dale
[Vasp&Me ] [已完结]结构优化 (3/905) 18234080845 2016-11-02 2016-11-02 10:35:19 by mylifecg
[MS] [已完结]关于生成热的单位 (2/463) 隼隼隼 2016-11-01 2016-11-02 09:49:12 by 隼隼隼
[MS] [已完结]求指导构建聚乙烯醇的聚合体的具体步骤,谢谢各位大神了! (2/612) 鬼斗1990 2016-04-18 2016-11-02 07:59:04 by 鬼斗1990
[Vasp&Me ] [已完结]编译vasp出现错误,求帮助!如能帮助,不胜感激!!! (6/1650) 一湿二鸟 2016-07-28 2016-11-02 06:56:53 by sutong666
[其他] [已完结]关于Wyckoff position (0/2949) chally123 2016-11-01 2016-11-01 22:57:41 by chally123
[Vasp&Me ] [已完结]求助大神,在vesta中用cutoff plane切出slab的一部分,如何把它设置为unit cell? (3/1160) xinweigood 2016-10-29 2016-11-01 22:25:36 by xinweigood
[Vasp&Me ] [已完结]安装vasp5.3最后一步出错 (6/1705) 开水白菜2 2016-09-11 2016-11-01 19:53:32 by 开水白菜2
[Vasp&Me ] [已完结]怎么用p4vasp来画杂化泛函计算的能带呢? (7/2949) chuanghua304 2014-09-26 2016-11-01 12:25:34 by fengxuanyue
[Siesta& ] [已完结]siesta结果计算形成能 (0/608) 云中木 2016-11-01 2016-11-01 09:41:10 by 云中木
[Vasp&Me ] [已完结]vasp里d轨道是什么? (0/349) swuhaizhilan 2016-11-01 2016-11-01 09:01:20 by swuhaizhilan
[QE(Pwsc ] [已完结]求助! QE算graphene二阶力常数, 输出文件中没有dielectric tensor 结果是F (0/761) a_lin916 2016-11-01 2016-11-01 08:26:03 by a_lin916
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