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[热点] 面上可以超过30页吧? 阿拉贡aragon 2026-02-24 刚刚
[Vasp&Me ] [已完结]vasp如何优化指定的几个原子 (9/3399) fly_elephan 2011-06-16 2016-01-22 18:10:43 by 蜜茶Erin
[MS] [已完结]原子晶格常数及位置坐标 (7/2450) 1234叶叶 2016-01-18 2016-01-22 13:50:43 by hookah
[MS] [已完结]MS 7.0 在windows server 2008上的安装问题 (0/376) silentocean 2016-01-22 2016-01-22 11:50:54 by silentocean
[Vasp&Me ] [已完结]VASP 加电场为什么打不开silicene 的带隙? (0/655) AI4Materials 2016-01-22 2016-01-22 11:21:32 by gaozhibin
[MS] [已完结]半导体材料的数据去哪找?    ( 1 2 ) (11/1851) bujiesan 2016-01-21 2016-01-22 10:40:51 by bujiesan
[MS] [已完结]原子坐标 (1/604) 1234叶叶 2016-01-21 2016-01-22 01:39:32 by miss_jerry
[Vasp&Me ] [已完结]求助VESTA做差分电荷密度的问题 (5/1447) zss19901107 2016-01-19 2016-01-21 17:43:21 by zss19901107
[MS] [已完结]绘制的能带图有问题,感觉多出来一些杂乱的线,大家进来交流下 (3/905) 狐狸歪歪 2016-01-20 2016-01-21 15:29:18 by 691538217
[MS] [已完结]linux下计算的MS文件如何在windows中打开?    ( 1 2 3 ) (25/3073) zxling 2011-08-03 2016-01-21 12:44:41 by 海蒂~拉玛
[MS] [已完结]castep计算分子晶体,收敛精度取啥精度? (2/724) hxxywwp 2016-01-20 2016-01-21 09:41:56 by hxxywwp
[Vasp&Me ] [已完结]关于燃料电池方面的教材 (1/992) 635585968 2016-01-17 2016-01-21 09:14:39 by khc1008
[MS] [已完结]dmol3的multipolar expansion参数设置 (3/1440) lgq250198767 2015-06-28 2016-01-21 07:04:11 by 一度微热
[QE(Pwsc ] [已完结]Diagonalization! (0/591) newyiding 2016-01-20 2016-01-20 23:51:44 by newyiding
[MS] [已完结]Dmol 3 计算加电场    ( 1 2 ) (13/3890) 李佳佳佳 2013-06-04 2016-01-20 18:37:00 by 卡开发发
[MS] [已完结]第一性新手求助吸附的相关问题 (1/717) 双刃乙 2015-12-16 2016-01-20 16:53:58 by hujian163033
[Vasp&Me ] [已完结]为什么我得到的反铁磁AFM过渡金属d电子dxy轨道不在费米面附近 (5/1304) kongkkk 2016-01-01 2016-01-20 16:18:31 by lan784846970
[MS] [已完结]请问怎么建立掺杂模型,掺杂原子在晶胞四面体或者八面体间隙中    ( 1 2 ) (12/4100) yifanxiaoyu 2014-04-25 2016-01-20 13:03:56 by 枫慕云宝
[其他] [已完结]化合价(价态,valence)与布居数(population)是怎样一种关系? (2/1081) 小韧1 2016-01-18 2016-01-20 10:49:51 by 淡在风中的云
[QE(Pwsc ] [已完结]PWscf设磁性的问题 (0/656) wangpeng5226 2016-01-20 2016-01-20 10:00:37 by wangpeng5226
[Vasp&Me ] [已完结]铁磁和反铁磁设置问题 (5/1554) yaogoo 2016-01-19 2016-01-20 08:53:52 by yaogoo
[QE(Pwsc ] [已完结]有关费米能级的问题 (8/10449) hexin1982 2015-12-28 2016-01-20 08:50:41 by 卡开发发
[资源] 大神们求助 (1/400) 微微心情_23 2016-01-19 2016-01-20 00:32:36 by stl409
[Vasp&Me ] vtsttool的官方manual (0/981) 葵cc_ 2016-01-19 2016-01-19 21:39:47 by 葵cc_
[资源] 电子书:Rare Earth Magnetism: Structures and Excitations (48/2337) valenhou001 2013-12-06 2016-01-19 19:08:29 by zhangsong8836
[其他] [已完结]想研究一下准晶玩玩,首先问题就来了。。。结构从哪得到 (0/297) 罗素悖论 2016-01-19 2016-01-19 16:42:58 by 罗素悖论
[QE(Pwsc ] [已完结]结构优化出错求助! (5/1275) newyiding 2016-01-04 2016-01-19 09:36:22 by wobure
[其他] [已完结]现在计算弹性常数,介电常数,压电常数,分别用什么软件呢? (3/1508) gynan2008 2012-11-03 2016-01-19 06:24:39 by 夏释然
[MS] 【求助】Can't create job for the server: Discover. Failed to connect to the gate (15/2813) liaoliqiong 2011-02-24 2016-01-18 22:00:47 by sujie0105
[资源] [已完结]重金求vasp 2009年的赝势库。 (6/999) wanbiao12138 2016-01-16 2016-01-18 17:35:23 by Ireson
[Vasp&Me ] [已完结][关贴]ATAT软件fitfc命令多步弛豫的自由度怎么设置 (1/592) hpfamily1988 2016-01-18 2016-01-18 17:28:55 by hpfamily1988
[Vasp&Me ] [已完结]振动模动画 (1/473) Fly330 2016-01-18 2016-01-18 17:06:37 by 巨蟹水蜜桃
[MS] [已完结]第一性原理计算 (0/1053) physictang 2016-01-18 2016-01-18 15:52:27 by physictang
[已完结]MS建模 (4/585) lihonglh 2015-04-16 2016-01-18 15:06:21 by lihonglh
[Siesta& ] [已完结]SIESTA中怎样做TDOS图? (4/1050) 云端星雨 2013-09-07 2016-01-18 14:23:27 by Phony-Silvia
[Vasp&Me ] [已完结]请教shell命令 (5/985) hpfamily1988 2016-01-17 2016-01-18 12:00:27 by hpfamily1988
[资源] [已完结]请问有免费或公开的Tight-binding Fitting的程序可以下载吗? (6/1902) rhinezju 2014-10-30 2016-01-18 11:56:12 by 对马拉二胡
[Vasp&Me ] [已完结]一维 模型的 PDOS (0/312) ZHC_Y 2016-01-18 2016-01-18 10:36:06 by ZHC_Y
[资源] 超多的电子书: (19/3318) valenhou001 2013-10-03 2016-01-18 08:40:47 by tony099
[Vasp&Me ] [已完结]求哪位大神能发个vasp5.4.1。。 (评阅-2) (3/1216) zhgt12345 2015-12-18 2016-01-18 01:20:15 by Ireson
[Abinit] abinit提交作业脚本 (2/787) 乘爱远航 2015-12-25 2016-01-17 22:48:52 by 乘爱远航
[Vasp&Me ] [已完结]vesta 画 3d 的电荷密度 图 (3/1567) andychain 2016-01-17 2016-01-17 17:44:53 by weiql08
[其他] [已完结]请教 LDA-1/2 GGA-1/2修正问题 (2/1531) mink 2016-01-17 2016-01-17 16:27:16 by mink
[其他] 【转帖】PBS安装 (11/2857) 顺水 2009-08-09 2016-01-17 14:41:25 by songbone
[Siesta& ] [已完结]想配台专门运行ATK的电脑,具体什么配置会比较合适? (0/425) rhinezju 2016-01-17 2016-01-17 08:58:47 by rhinezju
[Vasp&Me ] [已完结]VASP计算时出现这样的中断而且有时计算还不收敛请各位大神给些意见!! (2/937) 浩浩好帅 2016-01-16 2016-01-17 07:16:10 by emilyoyang
[Wien2k& ] [已完结]求助Boltztrap计算时wien2k带能量文件问题 (1/861) prince1000 2015-11-02 2016-01-17 04:23:43 by wilsun7
[MS] [已完结]求B4C结构文件 (4/777) xujc1983 2016-01-05 2016-01-16 22:01:06 by biancheng159
[Vasp&Me ] [已完结]计算弗仑克尔缺陷形成能,怎么确定间隙原子的位置? (0/660) LI.XI 2016-01-16 2016-01-16 20:36:32 by LI.XI
[QE(Pwsc ] [已完结]关于Pwscf 模守恒赝势和超软赝势的混用 (0/885) 18810950811 2016-01-16 2016-01-16 17:06:06 by 18810950811
[Vasp&Me ] USPEX在多节点并行的情况下运行不了 (2/1122) zsl_321123 2013-04-19 2016-01-16 16:45:27 by 缘亦是亦不是
[Vasp&Me ] [已完结]求助 (0/314) 新月妃 2016-01-16 2016-01-16 16:43:26 by 新月妃
[MS] [已完结]ms6.0怎么还原默认窗口布局? (0/294) 沐雨king 2016-01-16 2016-01-16 14:53:21 by 沐雨king
[Vasp&Me ] [已完结]能带算出来是平行的 。 (3/1042) 吃鱼的牛仔 2016-01-15 2016-01-16 14:44:06 by 吃鱼的牛仔
[其他] [已完结]Discovery Studio软件中,怎么计算分子式键长键角? (1/724) 世界我的 2015-12-29 2016-01-16 14:23:55 by 柚小西
[Wien2k& ] [已完结]WIEN2K安装过程未出错,计算过程Lapw2出错! (9/2266) zcy0821 2011-09-05 2016-01-16 14:00:43 by ljw4010
[MS] [已完结]小弟最近算了一个很奇怪的能带图,请各位高手帮忙看看    ( 1 2 ) (14/1364) luochuiyi90 2016-01-12 2016-01-16 13:37:31 by luochuiyi90
[Vasp&Me ] [已完结]SOC+HSE,自旋轨道耦合+杂化共同计算能带 问题求助 (5/3443) liu-biao 2016-01-14 2016-01-16 02:11:24 by wmy8802217
[QE(Pwsc ] [已完结]求助pwscf安装问题    ( 1 2 ) (13/1442) qdc19800214 2016-01-13 2016-01-15 21:12:06 by Ireson
[MS] [已完结]第二次修改意见求助! (5/1673) kuner 2014-05-21 2016-01-15 20:39:01 by tsglss
[MS] [已完结]再次求问,差分电荷密度图的定性分析    ( 1 2 ) (17/7230) silikiwi 2012-04-07 2016-01-15 17:40:34 by 永卟言弃
[其他] [已完结]形成能与热性能比如定容热容量之间有什么关系呢? (1/723) lulutiantian 2015-07-23 2016-01-15 17:11:13 by tsglss
[其他] [已完结]Vesta可以画出自旋极化电荷密度分布吗? (1/1136) 学员tIu1OY 2016-01-15 2016-01-15 16:17:12 by jpchou
[MS] [已完结]请问下如何将两个结构重叠在一起 (1/1021) jomoxia 2016-01-15 2016-01-15 16:15:22 by jpchou
[MS] [已完结]MS CASTEP几何优化后,模型显示发生变化,怎么调整,或是哪里出了问题 (6/1591) orwellyang 2016-01-14 2016-01-15 15:45:05 by orwellyang
[Wien2k& ] [已完结]如何使用TD-DFT计算分子激发态的几何结构? (1/1541) DFPT 2012-12-23 2016-01-15 12:47:06 by cuixueyan
[其他] [已完结][关贴]请教pwscf安装问题 (6/720) qdc19800214 2016-01-12 2016-01-15 10:12:11 by Ireson
[MS] [已完结]MS中内嵌分子之后如何还原空间群及对称性 (0/730) qq112 2016-01-15 2016-01-15 09:37:57 by qq112
[Vasp&Me ] [已完结]【哪位详细教在下一下,怎样建二维材料界面的模型?】 (5/1692) yebitai 2015-10-13 2016-01-15 07:19:19 by 方田半亩~
[Siesta& ] [已完结]求Atomistix ToolKit最新license (1/1103) 371131990 2016-01-14 2016-01-14 22:07:33 by guohuazhong
[Siesta& ] [已完结]ATK中的非共线磁矩计算 (0/504) gradius 2016-01-14 2016-01-14 21:35:06 by gradius
[MS] [已完结]第一性原理切表面UV的调节 (3/1457) 蓝色多瑙河丁 2016-01-10 2016-01-14 20:35:47 by 蓝色多瑙河丁
[MS] [已完结]各个方向添加长度 像晶胞那样 (2/462) 蓝色多瑙河丁 2016-01-13 2016-01-14 20:31:42 by 蓝色多瑙河丁
[Vasp&Me ] [已完结][关贴]用VASP计算含有O缺陷的Ga2O3结构优化的问题 (0/818) tcheng92 2016-01-14 2016-01-14 15:19:49 by tcheng92
[Siesta& ] [已完结]新人求助安装siesta (3/961) yiwuzhuxiang 2016-01-11 2016-01-14 14:49:18 by yiwuzhuxiang
[QE(Pwsc ] PWSCF计算吸附分子在表面的吸附能时,需不需要做BSSE基组校正? (0/368) voleyes 2016-01-14 2016-01-14 12:08:03 by voleyes
[Vasp&Me ] [已完结]有关ZnO的能带问题,大神们帮帮忙哈 (6/2103) lan784846970 2013-10-29 2016-01-14 07:04:21 by dearashley
[MS] [已完结]如何确定自旋劈裂宽度    ( 1 2 ) (10/1578) Yolanda7 2012-04-27 2016-01-14 06:44:26 by pangyuyu
[其他] [已完结]谁知道Cluster Variation Method (CVM)软件 (6/903) xh512 2012-04-28 2016-01-14 06:15:12 by zhutao9527
[MS] [已完结]新人求助各位前辈!!! (1/404) bzdbnm 2016-01-14 2016-01-14 01:21:19 by bzdbnm
[Vasp&Me ] [已完结]VASP做PARCHG计算时,PARCHG文件里面全是0,什么原因? (1/1726) 灰色的小白兔 2016-01-13 2016-01-13 22:10:22 by 灰色的小白兔
[其他] 请教Crystallography Open Database的使用方法 (6/5747) xxxxxxxfc 2014-07-14 2016-01-13 18:33:01 by dai087320
[Vasp&Me ] [已完结]vasp键级(Bond Order)计算相关知识求助 (2/3121) Jiansh 2016-01-12 2016-01-13 15:24:10 by 灰色的小白兔
[MS] 【求助】MS-CASTEP计算不能进行 (13/2886) zhaostar03 2011-03-09 2016-01-13 13:15:10 by ljyang320
[MS] [已完结]用MS构建晶胞问题,求帮助!! (6/1140) bujiesan 2015-12-25 2016-01-13 09:50:13 by 狐狸歪歪
[Vasp&Me ] [已完结]怎么在INCAR设置不同Ni原子的不同MAGMOM (2/871) 平敦盛Chem 2016-01-10 2016-01-12 23:33:37 by chimegreen
[其他] [已完结]awk 编程 (8/801) 1787487804 2016-01-11 2016-01-12 20:36:25 by goodluck1982
[MS] 关于光学性能横坐标单位nm-eV的转换问题 (17/4417) Tonisam 2014-09-26 2016-01-12 19:07:35 by wangyan6930
[QE(Pwsc ] [已完结]变胞计算!结构优化!出错! (0/1786) newyiding 2016-01-12 2016-01-12 18:38:21 by newyiding
[其他] 怎么用高斯09算黄昆因子?    ( 1 2 ) (16/1879) 暖暖的晴空 2015-12-28 2016-01-12 17:36:03 by muxijiao
[热点前沿 ] 自旋波 (1/718) 嗨王and娜娜 2013-10-30 2016-01-12 17:15:15 by 羞答答的小猪
[热点前沿 ] [已完结]为什么经常研究Cu(111)表面的问题? (2/2017) aaron5235 2016-01-12 2016-01-12 16:57:48 by aaron5235
[其他] [已完结][关贴]torque作业提交 (0/283) taofumu 2016-01-12 2016-01-12 16:24:16 by taofumu
[MS] [已完结]温度对金属材料微观组织结构和性能影响 (1/630) cathy911 2016-01-04 2016-01-12 09:50:58 by cathy911
[Vasp&Me ] 德拜温度有什么用? (9/4507) ym23 2013-10-07 2016-01-12 08:36:38 by 微露晨曦yq
[Vasp&Me ] VASP MD 模拟Fe的相变 (6/2140) 凌云志123 2015-11-30 2016-01-11 20:07:24 by 凌云志123
[其他] [已完结]算拓扑绝缘体边缘态 SOC strength 问题 (1/1294) 人人余yan 2016-01-04 2016-01-11 18:14:08 by gaoheng1015
[其他] [已完结]【高斯计算】要计算过渡族原子团簇与CO小分子相互作用,怎么构建输入文件? (1/475) cflsun2012 2016-01-11 2016-01-11 16:42:47 by cflsun2012
[Vasp&Me ] [已完结]重金求大神告诉考虑SOC情况下的态密度算出来后如何提取数据作图?    ( 1 2 ) (17/2150) obaica 2016-01-05 2016-01-11 14:53:17 by busstop
[资源] [已完结]侯博士有一个教程有关算弹性常数的.求教程~ (1/898) hit_yu 2016-01-10 2016-01-11 11:57:15 by 漫天飘雪
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