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[热点] 售SCI一区文章，我:8.O.55.1.O.54,科目齐全,可伽急 ncTVBM6AOJHF 2026-11-06 刚刚
[Vasp&Me ] [已完结]ISMEAR=1的测试问题    ( 1 2 ) (11/2339) Gina88 2012-11-04 2012-11-06 16:21:24 by Gina88
[MS] [已完结]关于CASTEP模块中的k-points设置问题 (3/1642) missu001 2012-11-05 2012-11-06 15:55:25 by liuyf1110
[MS] [已完结]关于能带，是金属还是半导体？ (6/1606) aaq2800 2012-11-02 2012-11-06 15:41:35 by liuyf1110
[MS] [已完结]MS castep计算GaAs 在外压下调制如何实现？ (1/488) andy101199 2012-11-06 2012-11-06 15:18:31 by hwceng0816
[MS] [已完结]打开态密度图弹出下列对话框，软件自动关闭 (0/263) yushengbest 2012-11-06 2012-11-06 13:55:47 by yushengbest
[MS] [已完结]三个虚频，两个强度非常低 (4/641) tt.yao 2012-11-04 2012-11-06 13:38:50 by tt.yao
[MS] [已完结]MS问题 (2/905) qujinfeng 2012-04-04 2012-11-06 13:34:51 by qj1989630
[其他] [已完结]请问urbach 能量是什么意思 (0/6465) junmao1989 2012-11-06 2012-11-06 11:06:54 by junmao1989
[Vasp&Me ] [已完结]NFREE 怎么设置有什么用（不是做频率计算） (3/2160) gsln 2012-09-26 2012-11-06 10:46:22 by leozpj
[QE(Pwsc ] [已完结]输出文件出现二进制代码 (4/984) freewain 2012-11-06 2012-11-06 10:41:32 by freewain
[Vasp&Me ] [已完结]弛豫的ISMEAR一般用什么 (2/406) lyylyy1 2012-11-05 2012-11-06 10:35:43 by lyylyy1
[MS] [已完结]求助六角（hexagonal）YMnO3,cif文件 (7/1444) cxf530 2012-10-31 2012-11-06 09:23:43 by cxf530
[MS] [已完结]MS界面鼠标失去功能 (3/576) 书万里 2012-11-05 2012-11-06 07:42:17 by meimeidyh
[MS] [已完结]MS castep计算GaAs得出带隙和文献相差很多，各参数已贴出，求大神指明原因    ( 1 2 3 ) (20/2609) andy101199 2012-11-02 2012-11-06 01:56:24 by Toapollo
[Vasp&Me ] [已完结]求助关于ZnO超胞GGA+U能带问题 (1/1091) adelyzhh 2012-11-05 2012-11-06 01:07:18 by adelyzhh
[MS] [已完结]晶胞表面能 (7/1369) 千里千寻373 2012-11-03 2012-11-05 21:00:03 by 千里千寻373
[Vasp&Me ] [已完结]vasp表面计算的结构优化问题 (3/1886) shelay 2012-11-03 2012-11-05 19:20:33 by shelay
[Vasp&Me ] [已完结]求助OUTCAR为啥没内容，输入文件齐全，在线等 (2/823) lifeshadow 2012-11-05 2012-11-05 17:02:51 by lifeshadow
[MS] [已完结]MS所有力场中某些参数的确定 (3/1183) xdr 2012-11-03 2012-11-05 16:27:23 by xdr
[Vasp&Me ] [已完结]菜鸟提问：关于搜索过渡态的问题 (7/1532) xiaoluoj 2012-10-30 2012-11-05 13:18:03 by xiaoluoj
[Siesta& ] [已完结]atk双探针模型脚本里的等价原子数具体是代表什么呢？ (0/292) kuailewxw 2012-11-05 2012-11-05 12:24:50 by kuailewxw
[MS] [已完结]MS6.0计算成功之后从服务器返回数据报错 (0/162) tonglijia 2012-11-05 2012-11-05 12:15:32 by tonglijia
[其他] [已完结]electrochemical gap是什么 (1/399) 骑英奔腾 2012-11-04 2012-11-05 11:48:38 by Lathander
[Vasp&Me ] [已完结]求助态密度分析-峰位平移说明啥？ (2/1686) wang-lf09 2012-10-31 2012-11-05 09:58:24 by wang-lf09
[QE(Pwsc ] [已完结]想学习pwscf, 请教一下各位大侠应该从何学起？    ( 1 2 ) (12/1308) gongjijun 2012-10-26 2012-11-05 09:35:55 by finalshake
[MS] [已完结]紧急求救！！！！！！linux系统中gateway如何设置随机启动？在线等！！！ (5/1216) leachmond 2012-11-04 2012-11-05 08:03:32 by sjzxbe
[MS] [已完结]新手求助——关于用MS生成一个“.xyz”文件 (9/2031) ZHC_Y 2012-08-13 2012-11-05 05:28:14 by ZHC_Y
[Vasp&Me ] [已完结]请问lev003.33版本的用法，是否要与tetr这个程序一起使用？ (0/346) weiyongkai 2012-11-04 2012-11-04 21:47:32 by weiyongkai
[Vasp&Me ] [已完结]vasp的MD考察结构的稳定性 (2/942) 小木虫于 2012-11-04 2012-11-04 20:57:22 by 小木虫于
[MS] [已完结]磁性计算 (1/537) 贝芷苡 2012-10-27 2012-11-04 20:50:21 by X.Wang
[Vasp&Me ] [已完结]做表面的计算 怎么做projected Band Structure (0/1297) lyylyy1 2012-11-04 2012-11-04 20:40:50 by lyylyy1
[Siesta& ] [已完结]atk 2008.10安装问题求助 (1/716) guohuazhong 2012-10-28 2012-11-04 17:55:45 by 77585218358
[Vasp&Me ] [已完结]vasp计算能带报错 (1/1337) humeng0811 2012-11-04 2012-11-04 15:21:09 by fzx2008
[Vasp&Me ] [已完结]卸载VMware Tools (1/678) lizhi1314 2012-11-03 2012-11-04 15:02:14 by gilderf
[Vasp&Me ] [已完结]求VASP计算合作 (1/449) liuliuji 2012-11-03 2012-11-04 10:21:49 by Gina88
[MS] [已完结]合金的晶胞结构怎么建啊 (4/880) 千里千寻373 2012-11-01 2012-11-03 22:51:37 by 千里千寻373
[MS] [已完结]求助 Materials Studio启动时 xml parser初始化失败 (1/982) 331982764 2012-11-03 2012-11-03 22:16:05 by 331982764
[Vasp&Me ] [已完结]如何更改画出band的最大值 (3/510) lalaloyo500 2012-11-03 2012-11-03 21:27:52 by lalaloyo500
[Vasp&Me ] [已完结]文章中的phase diagram（相图）是怎么做得？ (7/2481) 06022043 2012-10-30 2012-11-03 11:50:47 by Lathander
[MS] [已完结]如何用CASTEP计算O2的化学势 (2/1234) P201102016 2012-11-02 2012-11-03 11:37:32 by Lathander
[Vasp&Me ] [已完结]请问phonopy怎么输出德拜温度 (0/1321) 花无刺 2012-11-03 2012-11-03 11:14:28 by 花无刺
[MS] [已完结]MS 在计算结束后出来的.xsd文件，为什么只有坐标信息，结构不显示？求助大神啊 (0/359) andy101199 2012-11-03 2012-11-03 11:03:41 by andy101199
[MS] [已完结]castep 计算properties的问题(请大家帮忙了，感激不尽)    ( 1 2 ) (11/3753) 菲顶顶 2012-10-30 2012-11-03 09:59:10 by 菲顶顶
[Vasp&Me ] [已完结]求助ISMEAR (7/1838) Gina88 2012-10-28 2012-11-03 09:34:09 by Gina88
[Vasp&Me ] [已完结]新手求助：AIMD计算如何取出每步坐标 (1/1004) blueybz 2012-11-01 2012-11-03 07:17:59 by blueybz
[MS] [已完结][关贴]求MS6.0 linux系统下ＣＡＳＴＥＰ单机提交任务的ＰＢＳ (0/425) tonglijia 2012-11-02 2012-11-02 21:56:59 by tonglijia
[MS] [已完结]石墨烯态密度k-point问题 (1/567) yushengbest 2012-11-02 2012-11-02 18:38:54 by 安德
[Siesta& ] [已完结]请求高手关于ATK/VNL中分子建模的问题    ( 1 2 ) (11/2594) 飘飘转世 2012-10-24 2012-11-02 13:39:48 by 飘飘转世
[Wien2k& ] [已完结]求一个WIEN2k服务器计算的Pbs提交命令文件 (4/1918) lan徉yang 2012-05-14 2012-11-02 11:44:00 by 杨寻
[Vasp&Me ] [已完结]锐钛矿TiO2    ( 1 2 ) (12/2145) fjfuzhou 2012-06-30 2012-11-02 09:04:49 by fjfuzhou
[Vasp&Me ] [已完结]二阶导数单位 (7/1753) dfy50 2012-04-13 2012-11-02 08:51:18 by fjfuzhou
[Wien2k& ] [已完结]boltztrap 1.2.2 编译总是出错，那位高手帮忙看看。 (2/1234) kuiziyang 2012-11-01 2012-11-02 08:51:00 by kuiziyang
[MS] [已完结]有关castep的问题 (0/245) 千里千寻373 2012-11-01 2012-11-01 22:59:38 by 千里千寻373
[Wien2k& ] [已完结]求解释case.in5文件的第四行是什么意思！ (0/579) sunflower_12 2012-11-01 2012-11-01 20:36:59 by sunflower_12
[Vasp&Me ] [已完结]有没有人用过phonoy，老师把任务交给我，各位大神救命啊! (4/1598) xcid 2012-11-01 2012-11-01 19:24:11 by 林刀
[Vasp&Me ] [已完结]计算能带 (1/306) zhlhhc 2012-11-01 2012-11-01 18:49:18 by YXXYX426
[Wien2k& ] [已完结]wien2k问题，求高手指导 (2/468) 苦行客 2012-11-01 2012-11-01 18:14:35 by 苦行客
[Vasp&Me ] [已完结][关贴]vasp编译错误 (7/879) lifeshadow 2012-10-31 2012-11-01 15:03:34 by guohuazhong
[MS] [已完结]想了解一下能带计算的一些应用 (0/243) 浩之轻扬 2012-11-01 2012-11-01 14:34:00 by 浩之轻扬
[Vasp&Me ] [已完结]请问有没有人用Vasp算过声子，我们组里还没有人会跑，各位大神，拜托，拜托    ( 1 2 ) (14/2548) xcid 2012-10-29 2012-11-01 13:51:05 by iamikaruk
[MS] [已完结]弹性模量 (0/776) haitian123 2012-11-01 2012-11-01 11:16:20 by haitian123
[Abinit] [已完结]abinit计算弹性常数的几个小问题 (3/1532) gynan2008 2012-10-25 2012-11-01 05:48:17 by tangosnow
[MS] [已完结]在MS中打不开xcd格式的文件 (0/774) C40814052 2012-10-31 2012-10-31 23:12:54 by C40814052
[MS] [已完结]急！急！急！安装ms的小服务器计算很多东西后c盘内存不足了，该怎么解决？ (1/440) yushengbest 2012-10-31 2012-10-31 22:41:04 by 416726641
[MS] [已完结]德拜温度和弹性常数关系 (0/1005) 416726641 2012-10-31 2012-10-31 22:38:51 by 416726641
[QE(Pwsc ] [已完结]pwscf中的分子动力学出错 (0/1000) wanglei200 2012-10-31 2012-10-31 21:36:24 by wanglei200
[Vasp&Me ] [已完结]CONTCAR改成POSCAR进一步结构优化报错 (2/800) jidibinghumc 2012-10-27 2012-10-31 19:21:16 by jidibinghumc
[MS] [已完结]集群上MS6.0并行计算速度太低，求大神指导？ (6/1247) 拍拍熊出隐刀 2012-10-29 2012-10-31 17:00:09 by 拍拍熊出隐刀
[MS] [已完结]优化失败Error: failed establishing atom transformations (0/451) sdsdlgh 2012-10-31 2012-10-31 16:56:06 by sdsdlgh
[MS] [已完结][color=Red]k点的选取，怎么算?收敛性测试时怎么变化k点值？[/color]    ( 1 2 ) (10/3250) 毛毛虫315 2012-10-30 2012-10-31 16:37:53 by 毛毛虫315
[MS] [已完结]关于dmol3的收敛性测试    ( 1 2 ) (12/4204) flymice 2012-03-09 2012-10-31 12:38:22 by Aaron2006
[Vasp&Me ] [已完结]在用VASP计算高压下弹性常数时，应变能与应变之间的关系不是二次函数，是怎么回事？ (0/927) wangchenju 2012-10-31 2012-10-31 09:58:07 by wangchenju
[MS] [已完结]研究晶体的力学性质 (0/825) haitian123 2012-10-31 2012-10-31 09:34:35 by haitian123
[MS] [已完结]截断能 (0/361) wunianleng 2012-10-31 2012-10-31 09:16:26 by wunianleng
[MS] [已完结]castep晶格优化结果不知道对不对    ( 1 2 ) (16/2657) 菲顶顶 2012-10-29 2012-10-31 09:02:57 by 菲顶顶
[MS] [已完结]AlN模型怎么建立？ (8/2135) liuy1235 2011-09-08 2012-10-31 06:11:17 by andy101199
[MS] [已完结]castep不计算 (2/898) luoluoasdf 2012-01-06 2012-10-31 04:53:36 by rusong231
[Siesta& ] [已完结]MS建截面为六边形的纳米线结构 (3/1022) maomao-666 2012-10-30 2012-10-30 21:22:00 by maomao-666
[MS] [已完结]在MS中P121/N1这个空间群查找以及掺杂载流子浓度问题 (1/1007) flameflag 2012-10-29 2012-10-30 20:49:45 by flameflag
[QE(Pwsc ] [专家] [已完结]TDDFPT，用团簇呢？还是周期结构呢？    ( 1 2 ) (13/3381) souledge 2011-05-13 2012-10-30 18:36:37 by lihb734
[MS] [已完结]几何优化 收敛问题 (6/2401) fyh987 2012-02-29 2012-10-30 18:03:11 by liping888
[MS] [已完结]求助：Castep 怎么进行收敛性测试，其意义是？ (2/3555) fanhongxiang 2012-10-30 2012-10-30 16:06:33 by fanhongxiang
[Abinit] [已完结]abinit能带作图 (2/673) gynan2008 2012-10-29 2012-10-30 15:20:21 by gynan2008
[MS] [已完结]有没有大神帮忙查一下BiVO4的四方相的晶格参数和晶格位置    ( 1 2 ) (11/1863) xy8711488 2012-10-23 2012-10-30 12:21:12 by ice_rain
[MS] [已完结]有哪位大神能给帮助下，给个Materials Studio4.3新手入门教程 (2/434) Eason印雪 2012-10-29 2012-10-30 11:12:55 by lrr613
[MS] [已完结]D2d分子 symmetry 选或不选 (0/325) scq123 2012-10-30 2012-10-30 10:52:00 by scq123
[MS] [已完结]哪位大神能给一个MS4.4下载的链接 (1/307) cuizhaoyang 2012-02-24 2012-10-30 09:52:44 by jgslinjin
[Vasp&Me ] [已完结]关于void的问题 (0/139) w7amxbm4 2012-10-30 2012-10-30 09:33:07 by w7amxbm4
[MS] [已完结]求助关于过渡态搜索中遇到的问题 (2/1028) xiaoke413 2012-06-13 2012-10-30 08:59:02 by Lathander
[MS] [已完结]MS中的问题 (5/812) majiejili 2012-10-29 2012-10-30 08:51:55 by jiewei
[Wien2k& ] [已完结]打开 w2web (2/919) kuiziyang 2012-10-25 2012-10-30 08:32:14 by kuiziyang
[MS] [已完结]求助：纳米带k点路径设置的问题 (4/1046) aaq2800 2012-10-17 2012-10-30 08:07:30 by aaq2800
[MS] [已完结]晶格常数差距大的原因 (4/1818) crystalgirl1 2011-05-12 2012-10-30 06:01:04 by Lathander
[MS] [已完结]formal charge (5/1666) crystalgirl1 2011-06-02 2012-10-29 23:38:13 by 2311248tfw
[MS] [已完结]关于Raman计算问题？ (1/564) 444239852 2012-10-26 2012-10-29 23:25:06 by 444239852
[其他] [已完结]什么时候用supercell来计算？什么时候用primitivecell计算？ (1/1257) 一片儿陶客 2012-10-29 2012-10-29 21:54:18 by 月下冰魂
[MS] [已完结]用Dmol3模块做分子动力学分析，出现错误，求指点！ (1/1295) 学员AcTPy7 2012-10-29 2012-10-29 18:39:48 by qq364085265
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