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[热点] 读博 17制药周凯 2025-12-17 刚刚
[MS] [已完结]电子差分密度作图 (2/476) 只开一次的竹 2013-04-16 2013-04-23 15:29:47 by youziyouzi
[热点前沿 ] [已完结]论文中漂亮的结构图 (5/2424) cash_ms 2013-04-20 2013-04-23 12:53:27 by 李桂洋
[MS] [已完结]MS安装后的模型不能转动等问题 (1ST强帖+4)(7/2198) wwgaochao 2011-04-18 2013-04-23 10:27:28 by wmz1021
[MS] [已完结]ms中模拟聚合物得到的x衍射图,怎么求结晶度呢?好不容易导入JADE还是不行。 (0/541) 409702500 2013-04-23 2013-04-23 09:30:59 by 409702500
[热点前沿 ] [已完结]求助:GGA是否会过高估计体系的能隙?    ( 1 2 ) (10/1412) jq120 2013-04-20 2013-04-23 09:19:17 by future_wl
[Vasp&Me ] [已完结]初学者求助 VASP与 Abinit wien2K做压电铁电材料那个好 (1/673) lsls1990 2013-04-23 2013-04-23 09:09:33 by 花无刺
[QE(Pwsc ] [已完结]Pwscf编译出错 (4/1253) mika 2013-03-08 2013-04-23 09:09:33 by niuli
[Vasp&Me ] [已完结]请大家看看这个诡异的DOS (1/366) zsjan 2013-04-22 2013-04-23 09:04:41 by lgf9f18
[QE(Pwsc ] [已完结]如何用PWSCF计算弹性常数啊? (7/1821) 王金荣1987 2012-12-03 2013-04-23 06:50:59 by 王金荣1987
[MS] [已完结]MS如何打开粉末衍射数据 (1/265) qinlin0516 2013-04-22 2013-04-22 21:32:48 by qinlin0516
[MS] [已完结]掺杂后合金的力学性质 (1/358) haitian123 2013-04-15 2013-04-22 21:26:29 by franch
[MS] [已完结]安装MS6.1时 Gateway Service (x64) 无法用管理员创建,导致无法启动系统服务 (1/657) starxuj 2013-04-22 2013-04-22 21:04:07 by xujc1983
[MS] [已完结]MS计算后的磁性判断,这个是属于什么磁性 (1/748) querous 2013-04-22 2013-04-22 21:02:46 by xujc1983
[MS] [已完结]关于QE与MS的互相转化问题 (0/460) 异域神迹 2013-04-22 2013-04-22 15:21:26 by 异域神迹
[MS] [已完结]怎么做双空位缺陷 (9/1261) 菲顶顶 2013-03-22 2013-04-22 15:17:33 by 菲顶顶
[其他] [已完结]请问物理学报的版权协议如何上传? (2/622) hecking 2013-04-09 2013-04-22 15:03:40 by lyhndl
[QE(Pwsc ] [已完结]关于石墨烯能带图疑问。 (7/3002) 异域神迹 2013-04-19 2013-04-22 13:41:07 by DFPT
[MS] [已完结]怎样在castep做布居分析 (2/2071) jiahua004 2012-12-12 2013-04-22 10:38:21 by npuouwen
[MS] [已完结]吸附问题 (6/563) 鱼落凡间6016 2013-04-16 2013-04-22 09:14:04 by 鱼落凡间6016
[其他] [已完结]求助:有效质量的各向异性 (0/2249) njuwdj 2013-04-21 2013-04-21 23:48:43 by njuwdj
[MS] [已完结]这样的图中旁边标注用的原子用Crystalmaker 软件怎么画? (1/1423) hwceng0816 2013-04-21 2013-04-21 17:39:45 by xyzzz986
[热点前沿 ] [已完结]关于Xcrysden的问题 (0/288) 异域神迹 2013-04-21 2013-04-21 11:30:34 by 异域神迹
[Siesta& ] [已完结]siesta要用的W的赝势 (2/618) yangxuezhang 2013-04-17 2013-04-20 21:43:11 by littlecry
[热点前沿 ] [已完结]什么是长周期结构,麻烦说的具体点儿,谢谢 (2/2563) 晶晶宝贝 2013-04-17 2013-04-20 16:34:08 by 晶晶宝贝
[Vasp&Me ] [已完结]Vasp编译报错,compilation aborted for xcgrad.f90 (code 1) (1/2242) huangpu2009 2013-04-20 2013-04-20 15:00:36 by KalaShayminS
[MS] [已完结]超级新手,第一次摸计算,请教问题急!!    ( 1 2 ) (16/1266) zhywind200 2013-04-05 2013-04-20 14:20:26 by 1306256567
[MS] [已完结]晶体的平衡状态图怎么建模出来的 (2/374) yaoxin1 2013-04-16 2013-04-20 00:09:53 by zyj8119
[Siesta& ] [已完结]Siesta如何计算如下模型 (1/560) yahuifxlei 2013-04-19 2013-04-19 20:25:28 by KalaShayminS
[MS] [已完结]castep计算TiO2能带结构 (1/952) chanlv 2013-04-19 2013-04-19 19:46:07 by KalaShayminS
[MS] [已完结]ms安装问题 (1/328) fh8861566 2013-04-19 2013-04-19 16:38:52 by shilin900710
[MS] [已完结]Phys. Chem. Chem. Phys., 2007,9, 2094-2102 (3/547) ww6174 2012-10-16 2013-04-19 16:33:08 by 598878157
[MS] [已完结]MS怎么模拟F2311,F214 (0/338) hou9811 2013-04-19 2013-04-19 14:53:39 by hou9811
[其他] [已完结]1焦耳等于多少毫焦    ( 1 2 ) (14/6241) 国宝哥哥 2013-04-09 2013-04-19 11:44:56 by 日薄西山
[MS] [已完结]想请问一下,几何优化之后的晶格角度变化的问题    ( 1 2 ) (12/2340) wondersylar 2013-04-17 2013-04-19 11:31:00 by wondersylar
[MS] [已完结]求助查找晶体结构 如果用findit查不到 应该怎么办呢 (1/1164) wondersylar 2013-03-28 2013-04-19 11:05:12 by lxw1217
[MS] [已完结]CASTEP几何优化之谜 (8/2482) hwceng0816 2012-11-06 2013-04-19 10:12:55 by tsglss
[MS] [已完结]ELF分析成键问题 (0/1458) P201102016 2013-04-19 2013-04-19 09:55:11 by P201102016
[Vasp&Me ] [已完结]怎么算都是Na离子的能量比Na的低,到底错在哪了? (2/443) xuefangyu09 2013-04-18 2013-04-19 09:19:37 by xuefangyu09
[Vasp&Me ] [已完结]能量单位的换算 eV和J/m2 (2/5888) cuiky 2013-04-17 2013-04-19 07:50:04 by jwucn
[Vasp&Me ] [已完结][关贴]能带结构图和DOS图该怎么看? (4/2897) xiaoganghehe 2013-04-17 2013-04-19 07:16:49 by jwucn
[MS] [已完结]请教一个大体系不收敛的问题 (7/1181) xiaoyouzhi 2013-04-10 2013-04-18 23:04:47 by differe
[其他] [已完结]学习第一性原理计算的准备    ( 1 2 ) (13/7404) wqf050830205 2012-03-19 2013-04-18 21:11:41 by 大堂9999
[MS] [已完结]求教DMol3输出文件中一个基础问题 (7/1570) 剑魄诗魂 2012-10-30 2013-04-18 19:55:16 by jianying8996
[MS] [已完结]计算所得能量变化eV对应的标准焓变如何转化 (2/910) zzlghust 2013-04-10 2013-04-18 19:23:54 by zzlghust
[MS] [已完结]castep 几何优化后的晶格常数在哪里(正交晶系)? (6/2203) jianzhifu 2013-04-17 2013-04-18 18:46:44 by jianzhifu
[资源] [已完结]求文献 (1/400) yangbs2009 2013-04-18 2013-04-18 18:46:34 by ivansdk
[QE(Pwsc ] [已完结]形成能计算问题 (4/1185) hanyanli0475 2013-04-15 2013-04-18 16:32:46 by hanyanli0475
[Vasp&Me ] [已完结]计算G点声子频率时,如何引入LO-TO split? (5/1614) WDD880227 2013-04-16 2013-04-18 14:33:13 by iamikaruk
[Vasp&Me ] [已完结]帮我解释一下为什么没有产生磁矩? (0/276) zhlhhc 2013-04-18 2013-04-18 13:25:08 by zhlhhc
[MS] [已完结]MS5.5安装出错 (1/219) may_gloomy 2013-04-18 2013-04-18 13:18:53 by may_gloomy
[QE(Pwsc ] [已完结]石墨烯掺杂问题    ( 1 2 ) (12/2122) hanyanli0475 2012-12-14 2013-04-18 12:08:54 by chenkunkun
[Vasp&Me ] [已完结]求助一下,想做一个Co的态密度及分波态密度并计算Co磁矩 (4/977) chen_0610 2013-04-11 2013-04-18 11:38:15 by 磊俊陈
[Vasp&Me ] [已完结]求助chemical bond method的详细讲解 (0/143) luokang 2013-04-18 2013-04-18 11:37:37 by luokang
[MS] [已完结]请问Materials studio在Linux和Windows两个系统下运行有什么区别? (2/1807) jolly1987 2012-05-28 2013-04-18 11:10:49 by jianying8996
[MS] [已完结]高手请进,MS基础问题 (4/585) firsttaojun 2013-04-13 2013-04-18 08:46:55 by qq364085265
[MS] [已完结]CASTEP 优化完晶格长度为什么没有变化啊 (1/387) 小斐黄豆 2013-04-12 2013-04-17 20:12:39 by 磊俊陈
[MS] [已完结][关贴]聚合物与金属界面结合能 (0/459) xdr 2013-04-17 2013-04-17 19:51:30 by xdr
[MS] [已完结]求助!怎么把xcd文件导出成图片 (2/1596) starxuj 2013-04-17 2013-04-17 19:31:31 by 磊俊陈
[热点前沿 ] [已完结]怎样计算振动频率? (2/1390) fcg200808 2013-04-10 2013-04-17 17:34:43 by hjping2012
[Vasp&Me ] [已完结]VASP磁性设置 (1/1281) yjwyjwyjw 2013-04-09 2013-04-17 17:32:26 by wpzl4181005
[热点前沿 ] [已完结]静电势的势阱深度由什么性质决定? (2/1296) hw45888792 2013-04-15 2013-04-17 15:20:08 by hw45888792
[MS] [已完结]MS在linux下CPU设置的问题 (0/357) may_gloomy 2013-04-17 2013-04-17 14:34:11 by may_gloomy
[MS] [已完结]菜鸟求助:关于建立界面时出现界面不匹配的问题 (6/877) way1122 2012-11-28 2013-04-17 12:43:34 by jeeanlee
[MS] [已完结]MS中的DFTB一运行,就以不知名的原因停止了。 (2/389) 龙山狮崖 2013-04-17 2013-04-17 12:26:06 by 龙山狮崖
[MS] [已完结]谁有MS4.4 UNIX版的下载地址啊?官方的链接也行 (0/235) niuxiaoqi721 2013-04-17 2013-04-17 09:20:19 by niuxiaoqi721
[Vasp&Me ] [已完结]VASP+phonopy INCAR 参数设定问题?    ( 1 2 ) (12/2687) xcid 2012-12-04 2013-04-17 08:01:18 by orangemilk
[Abinit] [已完结]求iodine 的paw 赝势 (2/391) newness 2013-04-16 2013-04-17 03:29:57 by newness
[Abinit] [已完结]计算不同压强的弹性常数如要如何设置变量啊? (1ST强帖+1)(2/705) gynan2008 2013-04-08 2013-04-16 19:02:55 by sars518
[MS] [已完结]vasp优化之后的结构导回到ms中显示的原子变少 (2/1332) yangbs2009 2013-04-16 2013-04-16 18:07:22 by yangbs2009
[Vasp&Me ] [已完结]【求助】bader charge analysis问题 (4/1829) conperint 2013-04-16 2013-04-16 17:03:05 by conperint
[Vasp&Me ] [已完结]晶界断裂后如何计算两个表面的能量? (3/1533) lijuanshu 2013-04-15 2013-04-16 16:10:23 by lijuanshu
[Vasp&Me ] [已完结]LDAUL如何设置 (2/3375) cuiwen0314 2013-04-15 2013-04-16 15:55:42 by cuiwen0314
[MS] [已完结]icsd所建的纤锌矿结构与文章中的不一致 (2/478) 老热带鱼 2013-04-16 2013-04-16 14:46:21 by 老热带鱼
[资源] [已完结]C3N4的cif文件 (0/1528) C40814052 2013-04-16 2013-04-16 14:44:18 by C40814052
[热点前沿 ] [已完结]DMOl3 中的 BSSE问题 (0/628) aa644387857 2013-04-16 2013-04-16 14:28:23 by aa644387857
[QE(Pwsc ] [已完结]PWSCF使用MS中原子位置坐标的问题 (2/1101) gracerongr 2013-04-16 2013-04-16 12:55:59 by gracerongr
[MS] [已完结]ms 求助 (2/281) zengxb 2013-04-16 2013-04-16 12:21:45 by emilyoyang
[MS] [已完结]第一性原理 态密度 分析 (8/936) fayeting 2012-10-19 2013-04-16 12:14:08 by 微甜袅袅
[其他] [已完结]利用矩阵来卷曲平面是什么意思 (0/331) 小小冰竹 2013-04-16 2013-04-16 10:44:23 by 小小冰竹
[Abinit] [已完结]ABINIT官网上的赝势不能下载 (3/1014) yy08 2012-08-13 2013-04-16 10:05:04 by ustcdw
[Vasp&Me ] [已完结]【求助】关于掺杂石墨烯能带结构的疑问 (8/1801) conperint 2013-04-15 2013-04-16 09:36:05 by conperint
[其他] [已完结]gaussian计算的out文件出错 (0/845) 迟小二儿 2013-04-16 2013-04-16 07:52:58 by 迟小二儿
[Siesta& ] [已完结]VNL计算时出错!BAD ALLOCATION!! (0/950) sp-semon 2013-04-15 2013-04-15 22:26:27 by sp-semon
[MS] [已完结]如何表述不同能带状态下的电子分布图 (1/705) ibmsl400 2013-04-15 2013-04-15 21:38:50 by souledge
[Siesta& ] [已完结]新手请您支招啊 (0/224) ingkongyiye 2013-04-15 2013-04-15 20:44:59 by ingkongyiye
[热点前沿 ] [已完结]纯的碱金属 可以切出111面吗? (3/610) wanwanq 2013-04-14 2013-04-15 17:14:52 by xyzzz986
[MS] [已完结]金属现成团簇的原因    ( 1 2 ) (12/1292) anlen0615 2013-03-20 2013-04-15 16:40:03 by 707462558
[MS] [已完结]请问电子热激发对总能量的贡献怎么计算啊,恳求回答啊! (9/1136) 你蛋疼吗 2013-04-11 2013-04-15 16:12:43 by KalaShayminS
[Vasp&Me ] [已完结]VASP算能带总是出错,新手求帮忙 (3/896) P201102016 2013-04-13 2013-04-15 15:39:51 by hn19870519
[MS] [已完结]新人求大家的帮助啊,才开始被老师转做计算! (6/1001) 蓝玉烟 2013-04-12 2013-04-15 10:04:54 by 磊俊陈
[Vasp&Me ] [已完结]【求助】怎样用vasp计算charge transfer    ( 1 2 ) (10/1630) conperint 2013-04-03 2013-04-15 09:58:14 by conperint
[Vasp&Me ] [已完结]vasp报错 (0/232) 真情无价108 2013-04-15 2013-04-15 08:54:59 by 真情无价108
[MS] [已完结]晶格掺杂后为何能带图与未掺杂相比变密很多??    ( 1 2 ) (10/1862) lzn_t 2013-01-18 2013-04-15 07:51:44 by 颢燹
[QE(Pwsc ] [已完结]求助 关于QE 的plotrho.x program (9/897) yr861109 2013-04-11 2013-04-14 20:55:30 by yr861109
[MS] [已完结]MS 安装license connect问题始终解决不了    ( 1 2 ) (14/1005) andy101199 2012-10-20 2013-04-14 19:34:46 by xxtt26
[Siesta& ] [已完结]Siesta获得哈密顿量矩阵元 (4/605) duxiu727 2013-04-14 2013-04-14 19:22:40 by KalaShayminS
[其他] [已完结]这个到底是期刊还是书的章节?怎么查找啊 (3/783) 子钰菜菜 2013-04-12 2013-04-14 16:17:54 by jq120
[MS] [已完结]castep计算Cr单质单点能,优化出问题 (0/523) 声色中原 2013-04-14 2013-04-14 14:47:37 by 声色中原
[MS] [已完结]MS关于population analysis的计算 (3/2227) 建军 2012-12-26 2013-04-14 14:25:15 by 建军
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