24小时热门版块排行榜    

管理团队 (金币库 94060.3 充值 )

主管区长:
月只蓝小红豆
主管版主:
漫天飘雪蛋蛋小童鞋franch
11%最高出勤率

杰出贡献者

回帖排序 发表排序 刷新页面  |  交流  |  求助  |  资源精华区 作者 最后发表
[热点] 限项规定 newfuzzy1 2026-01-26 刚刚
[热点前沿 ] KP model 计算中的Hamilton矩阵元计算? (0/1013) waterwood_be 2014-05-17 2014-05-17 18:35:25 by waterwood_be
[其他] [已完结]新人签到 (7/725) ICEER 2014-04-30 2014-05-17 17:38:16 by 对马拉二胡
[Siesta& ] [已完结]高斯型基组    ( 1 2 ) (11/1361) 问天麦饼 2014-04-02 2014-05-17 16:12:50 by redhaier
[MS] 请问ms castep可以算陶瓷材料的密度,强度,和隔热系数么?谢谢大家 (1/397) pzj1979 2014-05-16 2014-05-17 13:58:56 by Tonisam
[MS] 请问 怎么用MS进行热导率的分子动力学模拟 (1/1701) 迷路了啊 2014-05-17 2014-05-17 13:55:38 by Tonisam
[MS] CASTEP能带图里怎么看禁带宽度 (8/3982) zhuyanjun 2014-05-16 2014-05-17 13:54:16 by Tonisam
[MS] 二氧化钛,在calculate那里setup里。metal这个选项是否勾选 (6/1124) 吕洁丽霞 2014-05-15 2014-05-17 13:53:29 by Tonisam
[MS] Bi2Se3 建模 5 (4/1636) chengcai@ 2014-05-07 2014-05-17 13:00:35 by ffzx
[MS] [已完结]MS cleave surface    ( 1 2 ) (1ST强帖+1)(19/8140) 鹰羽龙 2011-06-30 2014-05-17 11:42:12 by vgjhvgj
[热点前沿 ] 有关castep优化时的改变温度问题 (0/384) yy82610155 2014-05-17 2014-05-17 09:36:44 by yy82610155
[Vasp&Me ] [已完结][关贴]求教,为何我优化出石墨烯的晶格常数是2.4683,而文献里都是2.47???    ( 1 2 3 ) (25/4912) 甲斐之虎 2014-05-14 2014-05-17 09:25:25 by 甲斐之虎
[Vasp&Me ] [已完结]如何在VASP中计算团簇的结合能? (2/1063) qiaohongbo 2012-06-21 2014-05-17 07:28:31 by 朴诚龙
[MS] [已完结]大家用有没有用MS计算表面的文章啊,请帮忙介绍几篇,希望前辈帮帮忙,先谢啦!!! (0/257) clown9111014 2014-05-16 2014-05-16 21:04:12 by clown9111014
[MS] [已完结]关于建模的问题    ( 1 2 ) (12/1651) gaokaoheima 2014-05-15 2014-05-16 19:07:57 by gaokaoheima
[MS] [已完结]对于超包和原包的选择问题 (4/901) purplesdd 2014-05-09 2014-05-16 18:07:39 by stractor
[MS] [已完结]大家好,我想问一下Gibbs1算出的热容包含电子的贡献吗,哪位好心人给解答一下? (0/237) clown9111014 2014-05-16 2014-05-16 16:21:07 by clown9111014
[Vasp&Me ] [已完结]设置vasp环境变量的时候出现-bash:ELF command not found (4/1138) wanglianli136 2014-05-15 2014-05-16 14:53:18 by wanglianli136
[MS] [已完结]态密度分析 (1/583) kingskyfull 2014-05-16 2014-05-16 14:35:21 by 苦行客
[QE(Pwsc ] [已完结]calculation = 'md' / 'relax' 有什么分别? (0/739) ccmin4 2014-05-16 2014-05-16 13:32:43 by ccmin4
[MS] 【求助】求适用于XP 64位系统的MS软件 (4/635) freshman8185 2011-04-09 2014-05-16 11:26:20 by gzswyq
[MS] MS 5.5 能在win8 64 位系统上安装失败,为何? (4/1269) liu549 2014-03-07 2014-05-16 10:56:43 by S.M.Gong
[热点前沿 ] [已完结]请教一下,在abinit中可以用paw算压电系数吗? (0/489) gswylq 2014-05-16 2014-05-16 09:34:38 by gswylq
[Vasp&Me ] [已完结]关于表面能计算面积的问题    ( 1 2 ) (13/2087) sungjen 2014-04-29 2014-05-16 09:31:39 by sungjen
[MS] [已完结]nano cluster如何加入真空层 (5/1133) yangbs2009 2012-12-26 2014-05-16 04:16:24 by zmrright
[MS] [已完结]castep中态密度分析不能勾选 分波态 (4/1666) kingskyfull 2014-05-15 2014-05-16 00:11:31 by airuiyuan
[Siesta& ] [已完结]为什么siesta的倒格矢与VASP不一样? (4/905) oytxtu 2014-05-12 2014-05-15 20:12:28 by chenkunkun
[MS] [已完结]关于载流子浓度的问题! (0/1704) zmrright 2014-05-15 2014-05-15 18:56:26 by zmrright
[QE(Pwsc ] [已完结]请教建模的问题(slab模型) (1/1554) padian 2014-05-14 2014-05-15 15:24:17 by airuiyuan
[Vasp&Me ] [已完结]split_dos处理DOSCAR出错!!!! (2/825) 踏行者 2014-05-15 2014-05-15 15:07:11 by 踏行者
[MS] 第一性原理怎么才算是入门 (2/821) lx123ppp 2014-05-12 2014-05-15 10:42:58 by dyc_2008
[Vasp&Me ] [已完结]NEB计算晶面上原子配对问题 (2/599) jimuchun 2014-05-13 2014-05-15 09:59:01 by jimuchun
[Vasp&Me ] [已完结]vasp 4.x和5.3版本输出OUTCAR信息 (0/605) jimuchun 2014-05-15 2014-05-15 09:57:30 by jimuchun
[热点前沿 ] [已完结]求教:带有磁性的半导体有什么好处呢? (6/1734) 甲斐之虎 2014-05-14 2014-05-15 09:52:46 by 苦行客
[MS] [已完结]求高手帮我结构优化一下这个CIF文件 (0/907) zhywind200 2014-05-15 2014-05-15 09:48:39 by zhywind200
[Vasp&Me ] [已完结]急求SrMg2(PO4)2 的CIF文件,谢谢! (1/393) cczhou 2014-05-13 2014-05-15 09:38:46 by cczhou
[MS] [已完结]MS做分子动力学模拟 (7/2624) 张驰MJ 2014-05-12 2014-05-15 09:14:59 by 张驰MJ
[Vasp&Me ] [已完结]用VASP做材料的静态计算时,总是报错,求高手解答,有金币哦~~ (6/1249) zyqh 2014-05-14 2014-05-15 08:50:48 by 苦行客
[Vasp&Me ] [已完结]求教:关于OUTCAR中magnetization (x)与total charge的解读 (6/2148) 奔跑的爷们 2014-05-14 2014-05-15 08:11:45 by 奔跑的爷们
[MS] 太枯燥了,想做实验去    ( 1 2 ) (15/1966) lx123ppp 2014-05-11 2014-05-14 22:43:35 by liuxiaocunde
[MS] [已完结]cif文件没办法导入MS中?    ( 1 2 ) (18/6357) shiyu_xueshu 2014-05-13 2014-05-14 21:30:55 by shiyu_xueshu
[MS] [已完结]求教:关于铁磁态计算,一些专业术语…… (0/1023) 奔跑的爷们 2014-05-14 2014-05-14 21:12:20 by 奔跑的爷们
[MS] [已完结]如何找到运用MS的最新论文 (1/790) vicky_lee 2014-05-14 2014-05-14 20:06:41 by beefly
[资源] Verification of first-principles codes: ABINIT vs QE (1/561) fzx2008 2014-05-14 2014-05-14 19:14:24 by Twenty4
[Vasp&Me ] 做第一性原理的,看论文应该怎么看? (3/708) chinamanner1 2014-05-13 2014-05-14 15:44:35 by clown9111014
[热点前沿 ] [已完结]如何看某个K点在费米能处对态密度的贡献? (4/1139) gemucai 2013-08-31 2014-05-14 13:30:07 by liqizuiyang
[QE(Pwsc ] [已完结]画出的能带图打不开 (5/1158) hexin1982 2014-05-13 2014-05-14 10:27:55 by hexin1982
[Vasp&Me ] vasp计算介电函数中单位问题 (0/1575) 740122017 2014-05-14 2014-05-14 10:24:33 by 740122017
[其他] [已完结]无机晶体的相变温度理论计算方法求助! (2/1143) 迷途大书童 2014-05-13 2014-05-14 10:06:34 by stractor
[Vasp&Me ] [已完结]求教:关于PDOS的处理    ( 1 2 ) (16/3031) 甲斐之虎 2013-12-06 2014-05-14 09:11:12 by wangz00
[MS] [已完结]知道单个Ni原子能量的高手进来? (2/1199) 小小鑫000 2014-05-04 2014-05-14 09:06:50 by jnjnsun
[Vasp&Me ] [已完结]关于态密度和能带计算 (2/888) 对马拉二胡 2014-05-13 2014-05-14 08:18:38 by 对马拉二胡
[MS] [已完结]吸附文献阅读有点不懂,大家帮看看这个图吧。 (4/804) purplesdd 2014-05-13 2014-05-14 08:01:53 by 嗨王and娜娜
[其他] 关于费米能级 (5/5779) gtssongchi 2011-11-29 2014-05-14 07:54:08 by jiayq1020
[Vasp&Me ] [已完结]GGA+U (1/585) davimi 2014-05-13 2014-05-13 18:44:30 by mywai520
[Siesta& ] [已完结]并行版的SIESTA不能运行 (1/821) pangrui1985 2014-05-13 2014-05-13 18:38:51 by mywai520
[Vasp&Me ] [已完结]结构畸变 (3/557) swuhaizhilan 2014-05-11 2014-05-13 18:24:02 by mywai520
[Vasp&Me ] 高温 声子谱 (3/1410) fengxuanyue 2014-05-12 2014-05-13 17:06:07 by dyc_2008
[MS] [已完结][关贴]吸附计算如何设计? (4/1444) purplesdd 2014-05-13 2014-05-13 12:19:39 by purplesdd
[Vasp&Me ] [已完结]ZrO2 晶胞优化的问题 (4/837) llhhvhnh 2014-05-12 2014-05-13 11:03:47 by llhhvhnh
[MS] 吸附计算 (0/259) 隐刃之衅 2014-05-13 2014-05-13 10:39:55 by 隐刃之衅
[Vasp&Me ] [已完结][关贴]求教优化大晶格结构,优化出的能量总是非常大怎么办 (0/1031) jk射手座 2014-05-13 2014-05-13 10:15:17 by jk射手座
[Vasp&Me ] [已完结]界面研究表面重构    ( 1 2 3 ) (23/2558) sungjen 2014-05-06 2014-05-13 09:33:28 by sungjen
[Vasp&Me ] 【求助】vasp 计算 INCAR的设置 (9/3996) 06022043 2011-03-14 2014-05-13 06:29:01 by 06022043
[热点前沿 ] ZnO纳米管不收敛 (0/225) wuyi101010 2014-05-12 2014-05-12 21:59:26 by wuyi101010
[MS] [已完结][关贴]如何画异质结的能带结构示意图,急求 (3/7077) 风雨中恋着你 2014-05-12 2014-05-12 21:37:23 by 风雨中恋着你
[其他] [已完结]gaussian 错误2070 (1/4342) chengjienjut 2014-05-12 2014-05-12 20:48:11 by mywai520
[MS] [已完结]用CASTEP对Mg的进行几何结构优化,并计算弹性常数! (2/693) zzjust 2014-05-12 2014-05-12 19:50:01 by shqshq
[其他] [已完结]DFTB.ORG 怎么没有关于MOS2的sk文件 (0/220) wujianyang 2014-05-12 2014-05-12 19:36:00 by wujianyang
[Siesta& ] [已完结]ATK11.8.2 (0/500) exwhite 2014-05-12 2014-05-12 17:21:50 by exwhite
[MS] MD模拟弛豫时温度波动很大怎么破???????? (0/711) ansysabaqus 2014-05-12 2014-05-12 16:51:57 by ansysabaqus
[MS] [已完结]关于建磷酸锰锂晶胞的问题 (3/709) 建军 2014-05-10 2014-05-12 16:27:10 by 建军
[Vasp&Me ] [已完结]不同版本的VASP给出的结果不一样? (8/2579) pangrui1985 2014-05-07 2014-05-12 12:41:24 by emilyoyang
[Vasp&Me ] [已完结]求一个非商业版64位的intel fortran for linux的链接或者谁有联系我下,感激涕零! (2/579) 憨憨米 2014-05-12 2014-05-12 12:38:11 by mywai520
[热点前沿 ] [已完结]各位大侠,有关富勒烯碳笼异构体的问题! (3/745) xulisonghai 2011-09-26 2014-05-12 11:47:35 by xulisonghai
[热点前沿 ] [已完结]关于表面的优化    ( 1 2 ) (14/1085) dongabcde 2014-05-07 2014-05-12 11:00:21 by 1101120118
[其他] [已完结]关于形成能的问题    ( 1 2 ) (12/1611) hechaoni 2014-05-06 2014-05-12 09:24:29 by hechaoni
[Abinit] [已完结]abinit安装出错 (4/1511) lingzhe 2013-09-13 2014-05-12 07:06:14 by daofengwalan
[MS] 【求助】关于态密度的计算的基础问题    ( 1 2 ) (10/2152) byin 2010-06-15 2014-05-12 05:49:32 by 欢迎liulili
[其他] [已完结]band.dat数据处理 (4/1633) ted1277 2014-03-17 2014-05-11 18:37:31 by bashan
【求助】castep中的参数对计算结果有什么影响    ( 1 2 ) (评阅+2) (11/5119) doudouding 2008-12-28 2014-05-11 17:38:26 by yeahgyz
[MS] [已完结]请问态密度是这个样子,有磁性吗?谢谢    ( 1 2 ) (1ST强帖+1)(14/3947) cmdrz 2011-05-17 2014-05-11 17:07:03 by myelt
[Vasp&Me ] [已完结]声子谱能带图K点如何找 (4/2791) 1025594520 2014-05-10 2014-05-11 16:09:36 by 1025594520
[MS] [已完结]如何用MS 7.0输出6.1的计算文件? (0/265) 朱雪刚521 2014-05-11 2014-05-11 15:57:52 by 朱雪刚521
[MS] [已完结]ms在建立晶体结构模型时的参数设定 (4/2584) 1217471405 2014-05-08 2014-05-11 15:42:50 by 焦卫红
[MS] CASTEP模拟半导体ZnO体系,过渡金属以替位形式替代Zn,过渡金属的化合价为多少? (6/1833) 学员gQrpKs 2013-08-16 2014-05-11 13:30:03 by goodchildren
[Wien2k& ] [已完结]请问态密度积分与价电子数目的关系    ( 1 2 ) (11/3487) zcy0821 2012-08-09 2014-05-11 12:48:06 by myelt
[MS] 大家可不可以教下怎么获得差分电荷密度数据,小弟谢了!!! (4/940) clown9111014 2014-05-09 2014-05-11 09:30:52 by clown9111014
[MS] 优化成功后计算能量下的各种性质,为什么就不能成功了 ? (0/639) lx123ppp 2014-05-11 2014-05-11 07:35:42 by lx123ppp
[MS] [已完结]用MS建磷酸锰锂晶胞,求各建晶胞的参数和原子坐标 (9/1851) 建军 2014-04-26 2014-05-10 20:16:34 by 建军
[Vasp&Me ] [已完结]GaAs随压强变化的一些性质 (0/295) girl1202 2014-05-10 2014-05-10 19:04:26 by girl1202
[已完结]VASP的INCAR参数设置 (4/1654) 秦健萍 2011-09-17 2014-05-10 18:04:22 by 苦行客
[MS] [已完结]原子层固定 (1/653) shixiuyang 2014-04-02 2014-05-10 17:56:33 by gdwxky
[Vasp&Me ] [已完结]vasp软件dfpt计算声子内存不足算了3天后停了,怎样能在换大内存节点后继续算? (0/1709) happy小海 2014-05-10 2014-05-10 16:33:26 by happy小海
[Siesta& ] [已完结]ATK能否建立纳米颗粒的问题 (0/348) houchaojian 2014-05-10 2014-05-10 16:19:37 by houchaojian
[Vasp&Me ] [已完结]求GaSe化合物的POSCAR文件,已找到结构,不会分析对称性 (1/737) mousekingadv 2013-04-08 2014-05-10 15:31:39 by chuanghua304
[MS] [已完结]castep无法运行,其他模块正常,怎么处理    ( 1 2 ) (10/2546) geqone 2014-05-05 2014-05-10 12:12:00 by geqone
[Vasp&Me ] WARNING: dimensions on CHGCAR file are different (0/5006) 洁如玉 2014-05-10 2014-05-10 10:24:14 by 洁如玉
[热点前沿 ] 请问今年有 第一性原理 相关的 学术会议和软件培训吗?    ( 1 2 ) (15/3214) damao4361556 2014-04-28 2014-05-10 07:26:52 by 苦行客
[Vasp&Me ] 【求助】求算功函数小程序ave-mesh    ( 1 2 ) (15/2805) 020080730 2010-05-22 2014-05-10 07:13:19 by kakuhan
相关版块跳转
查看