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[热点] 售一区SCI文章T0P,我:8O.551.O54,科目全,可十急 ELBZ6WwEaRj6 2026-11-06 刚刚
[MS] [已完结]Material studio 6.1 无法导入模型(球棍) (0/1003) Marsxt 2015-02-05 2015-02-05 15:23:02 by Marsxt
[Vasp&Me ] [已完结]小体系水分子MD计算参数怎样设置合适 (3/1115) 欧阳平平 2015-02-03 2015-02-05 13:14:25 by hakuna
[Vasp&Me ] [已完结]体相和表面做应变 (8/2396) 菲顶顶 2015-01-31 2015-02-04 21:38:22 by 菲顶顶
[MS] [已完结]Dmol3如何实现沿某一方向优化晶包 (4/861) 小虫_sang 2015-02-03 2015-02-04 21:06:15 by 小虫_sang
[热点前沿 ] 【求助】请教手动进行晶格常数的优化 (4/1757) identation 2011-01-12 2015-02-04 15:13:21 by 跑江湖的
[MS] [已完结]castep计算两个铝离子能量失败的困惑! (0/943) 15216105346 2015-02-04 2015-02-04 14:47:03 by 15216105346
[Vasp&Me ] [已完结]金属合金的态密度图比较 (1/1356) fyc801 2014-12-22 2015-02-04 14:43:06 by vallen
[Vasp&Me ] [已完结]VASP无法无法自定义K点 (3/964) yysskk 2014-06-17 2015-02-04 13:28:47 by 天罡寒星
[其他] [已完结]论文翻译求助 (2/586) 农夫夫 2015-02-04 2015-02-04 11:47:39 by 孙远慧
[热点前沿 ] [已完结]求助申请北美研究生理论计算方面 (4/832) xiemeigongzi 2015-02-02 2015-02-04 02:59:01 by xiemeigongzi
[MS] [已完结]MS中PROJECT显示问题 (0/910) 382124153 2015-02-03 2015-02-03 21:10:39 by 382124153
[MS] [已完结]大家有谁知道在MS里面把原子变的模糊一点呢??谢谢大家啦~~~ (4/886) hjl89 2015-02-02 2015-02-03 18:17:11 by magicmonk
[Vasp&Me ] [已完结]vasp编译错误 (2/981) lightwlj 2015-02-03 2015-02-03 16:37:44 by lightwlj
[MS] [已完结]第一布里渊区中心点的选择与调整    ( 1 2 ) (10/3775) sandf 2015-01-31 2015-02-03 14:59:07 by sandf
[MS] 【求助】怎样考虑气体分子在纳米管或石墨烯上的物理吸附?(急) (5/2856) lwg020810 2011-01-16 2015-02-03 13:02:56 by xj200920075
[Vasp&Me ] [已完结]求助:vasp计算小团簇熔点的multiple-histogram method (0/535) 1243946679 2015-02-03 2015-02-03 12:52:27 by 1243946679
[Vasp&Me ] [已完结]如何删除ifort编译器?    ( 1 2 ) (16/3072) haowenping 2011-06-08 2015-02-03 12:00:16 by cjxxjc729
[Siesta& ] [已完结]运行denchar的时候无法读取输入坐标 (1/638) libiao1990 2015-02-02 2015-02-03 10:31:05 by libiao1990
[MS] Materials Studio 6.0 在单机上的安装与测试    ( 1 2 ) (11/4603) lindlar0078 2012-08-28 2015-02-03 09:10:14 by rollyng
[其他] 都是什么元素需要考虑自旋极化?为什么要考虑自旋极化? (3/2653) vallen 2015-01-27 2015-02-03 08:56:15 by KalaShayminS
[MS] [已完结]castep结构优化,晶胞参数变化较大的原因? (4/2208) hedonistful 2014-12-03 2015-02-03 06:07:32 by chimegreen
[Vasp&Me ] 【求助成功】计算能带结构时出现错误,请教    ( 1 2 ) (19/3080) qiqi2926 2010-08-10 2015-02-02 19:55:30 by nanost
[其他] [已完结]d-band center 如何变化 (6/2289) jianxiao 2014-01-08 2015-02-02 18:29:02 by vallen
[Vasp&Me ] [已完结]关于VASP中MAGMON的磁矩设置问题 (6/6180) 甜甜开心 2014-03-12 2015-02-02 17:54:21 by chimegreen
[热点前沿 ] [已完结]求BiFeO3(BFO)的建模结构,谢谢。 (4/1946) gougou531 2011-11-30 2015-02-02 15:39:03 by kingjin1985
[其他] [已完结]single particle electron energy state of the defect 是什么 (2/486) windsuk2011 2015-02-01 2015-02-02 10:08:54 by windsuk2011
[MS] [已完结]material studio建模型后,是用模型生成的 XRD图谱与标准卡片比对,吻合才算对么 (3/1102) zhenglijun-8 2015-01-30 2015-02-02 09:49:50 by zhenglijun-8
[Vasp&Me ] [已完结]求助VASP两个问题 (1/1124) 计算化学新人 2015-01-31 2015-02-02 08:21:05 by 计算化学新人
[MS] MS7+SUSE11sp3+Infiniband 集群安装分享 (0/702) rollyng 2015-02-02 2015-02-02 01:36:41 by rollyng
[Vasp&Me ] [已完结]vasp安装错误求助 (1/541) nanost 2015-02-01 2015-02-02 00:20:39 by nanost
[MS] [已完结]求助!MS的Forcite动力学优化后,貌似结构文件没有变化啊 (0/1246) 348731264 2015-02-01 2015-02-01 19:26:33 by 348731264
[MS] [已完结]求助Se这种分子的cohesive energy在MS中怎么计算? (0/660) 513014736 2015-02-01 2015-02-01 15:07:41 by 513014736
[热点前沿 ] stability diagrams of surface (0/280) lx123ppp 2015-02-01 2015-02-01 09:32:59 by lx123ppp
[MS] [已完结]只写优化的参数设置项,几乎很少给出scf收敛的情况, (6/735) tsglss 2015-01-31 2015-02-01 08:45:45 by 未岸亡灵
[Vasp&Me ] [已完结]VASP5.3并行安装时报错,求大神指点    ( 1 2 ) (19/5285) pinwei2014 2014-02-27 2015-02-01 06:55:39 by hellrose
[MS] [已完结]castep 计算两个铝离子势能总是出错! (2/1222) 15216105346 2015-01-30 2015-01-31 22:03:46 by 15216105346
[版务] 2015年01月值日报道贴 (评阅+5) (8/1115) liliangfang 2014-12-30 2015-01-31 21:31:10 by ljw4010
[Vasp&Me ] [已完结]vasp安装vtstcode时要不要对之前编译好的vasp执行make clean (1/1118) dingniu2 2015-01-31 2015-01-31 20:03:19 by 未岸亡灵
[Vasp&Me ] [已完结]画完能带图之后处理    ( 1 2 ) (14/2040) tsglss 2013-06-27 2015-01-31 18:32:38 by tsglss
[MS] [已完结]请问,哪位高人帮我解释一下异质结和量子阱之间的区别呀?谢谢 (9/1531) tsglss 2014-10-28 2015-01-31 18:31:59 by tsglss
[MS] [已完结]安装时出现问题,急需解决! (4/651) s044154lyg 2015-01-29 2015-01-31 17:09:23 by Ivy286
[Vasp&Me ] [已完结]表面结构加vdw计算表面能    ( 1 2 ) (11/1712) 菲顶顶 2015-01-26 2015-01-31 15:32:19 by 菲顶顶
[Vasp&Me ] [已完结]vasp编译出错 (1/411) 如花和小宝 2015-01-30 2015-01-31 09:57:19 by hybren
[其他] 【讨论】能垒(Ea)与温度(KT)的关系 (评阅+3) (9/4760) cenwanglai 2010-07-31 2015-01-31 06:44:06 by 对马拉二胡
[MS] Castep 优化时,原子坐标位置的优化 (10/4849) fansw1129 2012-12-22 2015-01-30 23:14:58 by junhuisun
[Vasp&Me ] [已完结]菜鸟求助:VASP能带计算问题 (8/1742) bianyuan2680 2015-01-29 2015-01-30 17:22:21 by bianyuan2680
[Vasp&Me ] [已完结]GW近似的计算速度快么?最多计算多少个原子? (7/3960) 发光的橘子 2011-06-23 2015-01-30 16:44:22 by luzihen
[Vasp&Me ] [已完结]vasp安装ifort: command line remark #10148: option '-lowercase' not supported (1/3788) dingniu2 2015-01-30 2015-01-30 14:52:50 by KalaShayminS
[Vasp&Me ] [已完结]0GPa, 0K时能垒为0.023eV/atom, 300K时会反应吗? (4/1125) 对马拉二胡 2015-01-29 2015-01-30 11:31:34 by 对马拉二胡
[Vasp&Me ] [已完结]求助关于偶极修正的问题! (1/926) stephenew 2015-01-28 2015-01-30 11:26:46 by stephenew
[MS] [已完结]大神帮忙,看我的模型对否,可以用么? (5/807) zhenglijun-8 2015-01-29 2015-01-30 10:22:36 by zhenglijun-8
[MS] [已完结]急急急!求教materials studio 中castep模块计算能量问题! (2/2314) 小蟒Andy 2015-01-29 2015-01-30 09:17:29 by 小蟒Andy
[其他] [已完结]如何能自动掌握自己研究方向的及时动态? (1/1084) 果果果莹莹莹 2015-01-29 2015-01-29 20:10:44 by aibude163
[MS] [已完结]请问掺杂形成能如何计算呢? (1/2412) gdwxky 2015-01-29 2015-01-29 11:18:04 by 未岸亡灵
[MS] 【求助】金属间化合物和有序固溶体的区别    ( 1 2 ) (15/4788) 火柴天堂7909 2009-10-29 2015-01-29 07:26:46 by fxh0402
[Wien2k& ] [已完结]wien2k并行.machines文件怎么写?    ( 1 2 ) (13/3344) wswangs 2015-01-26 2015-01-28 21:28:33 by ljw4010
[其他] [已完结]求助-计算几个化学键的BDE    ( 1 2 ) (11/3099) 汶水长流 2015-01-27 2015-01-28 19:07:50 by chiweijie
[MS] [已完结]用castep计算TiO2表面能和吸附能 (4/4380) leachmond 2011-12-11 2015-01-28 18:28:54 by 我爱砖头
[热点前沿 ] 【求助】声子与相变 (1ST强帖+1)(28/5595) identation 2010-12-03 2015-01-28 16:16:04 by 奋力拼搏
[MS] 【求助】SiO2/SiC界面结构的搭建问题 (评阅+1) (4/1526) vinbert 2010-07-30 2015-01-28 12:16:35 by 风雨彩虹1602
[Vasp&Me ] [已完结]求助:VASP计算广义层错能GSFE的方法问题是否有误? (3/2291) 鲤鱼飞 2013-06-17 2015-01-28 12:16:03 by shuoshuohome
[热点前沿 ] 半导体材料多缺陷问题的研究 (2/1251) Dirac12345 2014-11-19 2015-01-28 11:57:18 by tsglss
[Vasp&Me ] [已完结]计算出极化强度矢量后,怎么判断它是沿哪个晶向?(如[111],[001]) (5/2106) donggaomin 2011-06-18 2015-01-28 11:47:25 by liutaifeng
[其他] [已完结]求关于Y单质在不同压力下的结构的文献或是结构数据 (0/290) diandianer 2015-01-28 2015-01-28 11:04:34 by diandianer
[其他] [已完结]VESTA无法画出正确的配位多面体 (1/2887) cruiser0631 2015-01-27 2015-01-28 10:42:59 by fzx2008
[Vasp&Me ] [已完结]用PBS提交任务出错,请各位高手帮忙指点一下。谢谢大家~~ (0/1422) hjl89 2015-01-28 2015-01-28 08:41:24 by hjl89
[MS] [已完结]怎么用castep计算ZnO的光学属性,新手入行,有个稍具体的步骤最好 (0/365) 我爱砖头 2015-01-27 2015-01-27 21:14:20 by 我爱砖头
[Vasp&Me ] [已完结]POTCAR文件的选取问题 (0/1252) sunyj1409 2015-01-27 2015-01-27 20:07:09 by sunyj1409
[Vasp&Me ] [已完结]如何较为准确的获得力常数矩阵? (3/3420) thuabalone 2013-12-16 2015-01-27 19:40:13 by 蓝莓微积分
[Vasp&Me ] [已完结]已知反应能垒,可不可以求反应温度? (4/1411) 对马拉二胡 2015-01-27 2015-01-27 18:35:30 by 对马拉二胡
[Vasp&Me ] [已完结]vasp出现Error reading item 'IMAGES' from file INCAR请问哪错了? (0/1347) 枫魔馨 2015-01-27 2015-01-27 17:19:09 by 枫魔馨
[MS] [已完结]三价Cr和六价Cr在SrTiO3晶体中的掺杂的晶胞建立是怎样的? (1/707) changle88 2015-01-27 2015-01-27 15:48:32 by changle88
[Vasp&Me ] [已完结]VASP中偶极矩修正是如何做的? (0/4028) chinamanner1 2015-01-27 2015-01-27 14:50:23 by chinamanner1
[热点前沿 ] [已完结]对于价带顶及导带底分属不同自旋的半导体,可以直接跃迁吗? (4/1459) 奔跑的爷们 2015-01-26 2015-01-27 14:38:00 by 奔跑的爷们
[Vasp&Me ] [已完结]求当施加单轴应变(如x方向)较多时的shell 脚本 (4/1687) 骆驼忍着 2015-01-22 2015-01-26 23:23:15 by liqizuiyang
[MS] 【求助】MS forcite动力学问题    ( 1 2 ) (评阅+2) (13/3192) tjufyn 2010-08-24 2015-01-26 17:34:30 by lidihui1992
[MS] [已完结]求各位大神帮忙修背底 (0/476) zhenglijun-8 2015-01-26 2015-01-26 15:51:22 by zhenglijun-8
[Vasp&Me ] [已完结]如何从状态密度(DOS)分析来判断吸附稳定性?    ( 1 2 ) (11/3304) gfunction 2012-05-10 2015-01-26 15:08:43 by vallen
[Abinit] [已完结]安装openmpi时出现错误,如何解决? (1/4428) TS_boy 2015-01-26 2015-01-26 15:02:06 by 未岸亡灵
[MS] [已完结]win7 32位,求助适合的material studio,邮箱junfei_w@126.com (2/4010) junfei_w 2015-01-24 2015-01-26 11:20:26 by junfei_w
[热点前沿 ] [已完结]不同温度下 六方晶系的结构参数的变化 (0/499) 无缘无怨 2015-01-26 2015-01-26 09:45:31 by 无缘无怨
[MS] [已完结]MS画图求助 (0/449) emmachen 2015-01-26 2015-01-26 09:32:22 by emmachen
[Vasp&Me ] 讨论个技术性问题,实验当中的【势垒】和计算当中的【静电势】之间的关系。 (7/1341) 一川烟草 2014-12-21 2015-01-25 22:14:17 by 一川烟草
[其他] [已完结]cygwin使用中的问题···· (1/440) 木木菜 2013-06-10 2015-01-25 21:23:32 by 碳一化工
[MS] [已完结]CASTEP计算EELS相关问题求助 (0/854) 孙东加油 2015-01-25 2015-01-25 09:55:58 by 孙东加油
[Vasp&Me ] [已完结]cpu效率低下 (7/1446) swuhaizhilan 2015-01-24 2015-01-25 08:57:48 by 未岸亡灵
[Vasp&Me ] [已完结]带电体系能量 ----计算 (2/2522) Janus2024 2015-01-24 2015-01-25 01:58:20 by stractor
[MS] [已完结][关贴]XRD精修 (评阅-20) (4/1396) 276897678976 2015-01-17 2015-01-24 20:20:03 by ljw4010
[Siesta& ] SIESTA scf不收敛,怎么办? (5/2821) smartly 2011-02-25 2015-01-24 18:55:49 by xwu10
[MS] castep有两处可以看各个原子磁性,请问这两种结果的差异? (10/1045) 七夕墨 2015-01-24 2015-01-24 12:57:30 by 冲着太阳微笑
[Wien2k& ] [已完结]联网/IP (2/642) 513014736 2015-01-23 2015-01-24 12:54:36 by 513014736
[MS] tio2 掺杂和氧空位问题的讨论 (0/2126) haodalong218 2015-01-24 2015-01-24 12:10:10 by haodalong218
[MS] [已完结]Material-studio 6.0安装和卸载问题 (1/3095) JJ20 2015-01-24 2015-01-24 11:40:26 by ljw4010
[Vasp&Me ] [已完结]晶格弛豫与结构弛豫    ( 1 2 ) (18/6478) sungjen 2013-10-06 2015-01-24 07:26:52 by 计算化学新人
[MS] [已完结]请教,在同一台机子上用虚拟机装客服端,真实机子装服务器好,还是反过来好呢? (3/775) topkzq 2015-01-21 2015-01-23 21:00:49 by topkzq
[MS] [已完结]询问castep 出现这样的失败窗口的原因 (6/1025) 七夕墨 2015-01-21 2015-01-23 19:33:33 by 飞行鸟
[MS] [已完结]建模急求关于Mn4B完整结构的文献 (0/232) ysun2014 2015-01-23 2015-01-23 19:10:23 by ysun2014
[Vasp&Me ] [已完结]求助γ-Al2O3 (1/352) 枫寒 2015-01-23 2015-01-23 17:57:27 by 未岸亡灵
[MS] [已完结]介孔碳的分子模型怎么构建 (0/448) abczjp 2015-01-23 2015-01-23 15:07:52 by abczjp
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