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[热点] 导师想让我从独立一作变成了共一第一 mfl234 2025-12-17 刚刚
[Abinit] [已完结]求推荐有色金属学报的审稿人啊 (1/369) luokang 2013-01-07 2013-01-07 14:27:42 by luokang
[Vasp&Me ] [已完结]做结构优化和做静态计算能量不一致 (7/1829) thelrgbird 2012-07-31 2013-01-07 13:07:24 by sunflower_12
[MS] [已完结]能带结构图 (6/704) 416726641 2013-01-06 2013-01-07 10:20:51 by digghost
[其他] [已完结]如何用origin实现在二维图中标注数据的权重? (1/2473) twy891137 2013-01-07 2013-01-07 08:59:20 by shmilylxc
[MS] [已完结]CASTEP能算体系的电声耦合系数吗? (0/640) heechao 2013-01-06 2013-01-06 16:42:19 by heechao
[MS] [已完结]算形成能时,那个Ecorr修正项怎么理解 (0/758) yangchengxu 2013-01-06 2013-01-06 15:22:01 by yangchengxu
[MS] [已完结]原子总数怎么看 (3/3011) hanqingyan 2013-01-04 2013-01-06 10:31:43 by digghost
[MS] [已完结]求NaYF4立方相和六角相的声子谱。。。我的MS软件不能算怎么回事。。。 (0/308) xgqi100 2013-01-06 2013-01-06 10:04:35 by xgqi100
[Vasp&Me ] [已完结]VASP中LDA+U确定U值时,Uout从哪里读出来? (2/906) paopaotu326 2012-12-30 2013-01-06 07:58:55 by paopaotu326
[Vasp&Me ] [已完结]properties 计算 (7/2404) yoyo103108 2011-12-13 2013-01-06 06:00:55 by xwangan
[热点前沿 ] [已完结]怎样用Doml软件计算拉曼光普 (0/398) xiangge 2013-01-05 2013-01-05 21:24:37 by xiangge
[Vasp&Me ] [已完结]为什么在计算berry phase的时候OUTCAR里面没有<R>bp项? (0/412) yayanoba 2013-01-05 2013-01-05 21:24:05 by yayanoba
[其他] [已完结]急求cuzr2空间结构 (8/810) baifeifei006 2013-01-03 2013-01-05 20:40:58 by baifeifei006
[MS] [已完结]想问一下有经验的人,用盗版的MS软件做计算的结论可以发文章吗?会不会被追究责任?    ( 1 2 3 4 ) (30/4860) 一片儿陶客 2012-10-04 2013-01-05 19:21:02 by majun04
[MS] [已完结]有没有人构建Fe2O3和Al2O3混合物的模型啊??? (9/1541) niuxiaoqi721 2012-05-23 2013-01-05 17:48:54 by taotao9091
[Abinit] [已完结]关于abinit的优化问题 (3/1039) gynan2008 2012-11-22 2013-01-05 17:08:47 by 天气就是风景
[Abinit] [已完结]求助关于能带的标识 (3/486) pariah 2012-12-11 2013-01-05 16:37:32 by 天气就是风景
[MS] [已完结]求助In铟的cif文件 (0/287) yangchengxu 2013-01-05 2013-01-05 16:35:00 by yangchengxu
[MS] [已完结]关于MS中的一些问题 (3/586) ning007 2013-01-02 2013-01-05 16:20:45 by digghost
[Vasp&Me ] [已完结]请问POSCAR中的坐标系是什么意思 (6/1969) kaixnjb 2012-12-18 2013-01-05 12:08:06 by 旭旭宝宝
[Vasp&Me ] [已完结]能带计算时无法设置NBANDS,各位大侠帮忙看一下! (7/2627) liancsh 2012-02-12 2013-01-05 09:25:49 by 旭旭宝宝
[热点前沿 ] [已完结]求推荐文章 关于金纳米团簇(Au>100)与石墨的催化作用 (0/439) xueyan9088 2013-01-04 2013-01-04 22:23:29 by xueyan9088
[其他] [已完结]如何构建这个多肽的结构 (0/409) 我的未来bsm 2013-01-04 2013-01-04 21:16:27 by 我的未来bsm
[Vasp&Me ] [已完结]vasp中k点为1的点 (1/495) 楚笑笑生 2013-01-01 2013-01-04 19:37:27 by yuraining
[Vasp&Me ] [已完结]berry phase 电极化值 偏小 如何增大? (7/809) tuhaidan 2012-08-02 2013-01-04 19:31:25 by 阚敏
[MS] [已完结]在点击convergence.xcd这一项的的时候会跳出应用程序错误,这是怎么回事呢? (0/238) huyujuan123 2013-01-04 2013-01-04 11:51:40 by huyujuan123
[Abinit] [已完结]求助一个关于声子谱计算的问题。。。。。 (1/390) 若博特 2013-01-04 2013-01-04 09:40:33 by souledge
[其他] [已完结]第一性原理如何在制药工程上应用? (0/299) xnwok 2013-01-03 2013-01-03 17:00:33 by xnwok
[Vasp&Me ] [已完结]关于DOS对金属性影响判断的 (1/885) thelrgbird 2013-01-03 2013-01-03 13:41:38 by sunshoutian168
[Vasp&Me ] [已完结]encut 测试结果怎么取 (7/1487) 707462558 2013-01-02 2013-01-03 12:07:42 by bill686433
[Vasp&Me ] [已完结]vasp 计算单分子/原子 时晶胞大小的选取 (6/2827) rustboy 2012-12-30 2013-01-03 10:36:48 by hn19870519
[其他] [已完结]ICSD运行时的关键字问题 (3/416) 贝芷苡 2013-01-02 2013-01-03 10:25:28 by 贝芷苡
[MS] [已完结]扩散过程能量动态变化怎么实现?就是下面这句英文怎么实现? (4/512) 建军 2012-12-27 2013-01-03 09:16:03 by 建军
[其他] [已完结]高斯ONIOM求助,急呀 (0/386) li_shuangyan 2013-01-02 2013-01-02 13:50:16 by li_shuangyan
[MS] [已完结]怎样有效提高几何有话后的晶胞结构最大的接近实验值 (0/203) hwceng0816 2013-01-02 2013-01-02 12:52:27 by hwceng0816
[MS] [已完结]CeO2氧化铈导带价带数据哪里有啊!禁带理论!找了好久怎么都没有啊 (2/2198) zirand 2012-05-10 2013-01-02 12:23:59 by jaxiangyuye
[Wien2k& ] [已完结]求助wien2k的hf计算 (0/421) 迷路的游侠 2013-01-01 2013-01-01 16:42:33 by 迷路的游侠
[MS] [已完结]CASTEP 模块的学习应该主要看一些什么资料。。什么教材 (3/626) npuouwen 2012-12-31 2013-01-01 14:42:45 by npuouwen
[MS] [已完结]gateway问题 (8/861) 729267452lgl 2012-12-30 2013-01-01 14:31:27 by 275560060
[MS] [已完结]Materials Studio能带图显示问题 (3/1787) k_now 2012-12-30 2013-01-01 14:26:44 by fbqrdzs
[MS] [已完结]有路由器的Linux系统下无法进行计算 (4/811) DFPT 2012-12-31 2013-01-01 13:17:18 by DFPT
[Vasp&Me ] [已完结]求vasp并行时效率怎么检测? (3/886) lzlgcdc 2013-01-01 2013-01-01 10:26:19 by lzlgcdc
[Vasp&Me ] [已完结]截断能的选择 (5/2704) 707462558 2012-12-31 2012-12-31 18:28:30 by emilyoyang
[Vasp&Me ] [已完结]【求助】SIGMA测试的收敛判据啊 (0/471) hythen 2012-12-31 2012-12-31 17:19:23 by hythen
[MS] [已完结]ZnO掺杂问题 (6/739) fyh987 2012-08-07 2012-12-31 16:44:40 by ginafire1978
[Vasp&Me ] [已完结]大侠们~本人编译vasp.5.lib过程中遇到如下错误 敢问何解?不胜感激~ (7/1715) 苦逼牛逼 2012-12-29 2012-12-31 15:37:39 by 苦逼牛逼
[MS] [已完结]running后会出现view diagnostic log ? (0/518) huyujuan123 2012-12-31 2012-12-31 14:59:35 by huyujuan123
[Siesta& ] [已完结]求siesta计算用的Mg、B原子的赝势文件 (4/755) futiliu 2012-12-30 2012-12-31 11:42:49 by futiliu
[Vasp&Me ] [已完结]VASP5.2编译出错求助 恳请指点!不胜感激~ (2/637) 苦逼牛逼 2012-12-30 2012-12-31 11:14:41 by 苦逼牛逼
[Vasp&Me ] [已完结]vasp 如何计算F负离子能量 (0/845) dfjk-123 2012-12-31 2012-12-31 11:13:05 by dfjk-123
[Vasp&Me ] [已完结]如何在模拟薄膜的时候加真空层 (4/1583) sagiterszk 2012-06-22 2012-12-31 08:45:55 by 楚笑笑生
[Vasp&Me ] [已完结]vasp脚本运行问题 (7/1811) huangll99 2012-02-26 2012-12-31 06:02:53 by 豆豆王王
[Siesta& ] [已完结]siesta怎么算过渡态结构? (3/489) vallen 2012-12-19 2012-12-31 05:44:56 by love5264
[Siesta& ] [已完结]siesta计算问题 (3/667) yangxuezhang 2012-12-28 2012-12-31 05:42:31 by love5264
[热点前沿 ] [已完结][关贴]求H2在高压下的C2/c结构具体的晶格参数信息(附相关文献),重谢! (4/602) weiyongkai 2012-12-26 2012-12-30 21:05:04 by gavinliu7390
[Vasp&Me ] [已完结]VASP优化石墨烯时Ismear设置为0可以吗 (5/2363) mitong 2012-12-21 2012-12-29 08:29:48 by 171713294
[Vasp&Me ] [已完结]能带和态密度问题 (3/702) lzlgcdc 2012-12-28 2012-12-28 22:56:15 by lzlgcdc
[Siesta& ] [已完结]siesta结构优化收敛标准 (5/1952) bjwang 2012-12-08 2012-12-28 15:26:14 by yangxuezhang
[Vasp&Me ] [已完结]只有选取USPP才能使用split_dos对态密度文件进行分割吗? (0/286) wl7171759 2012-12-26 2012-12-28 15:01:54 by wl7171759
[QE(Pwsc ] [已完结]求助:pwscf中生成赝势的例子中,给出的信息看不懂,请各位大侠指教呀! (2/446) gongjijun 2012-12-25 2012-12-27 20:53:57 by gongjijun
[Vasp&Me ] [已完结]畴结构怎么画 (0/666) anewtry 2012-12-27 2012-12-27 19:49:55 by anewtry
[MS] [已完结]请教大家一个基本问题 (0/193) oxox6085 2012-12-27 2012-12-27 18:59:17 by oxox6085
[MS] [已完结]有哪位算过dmol3模块中的ESP吗 (8/1100) 青青97 2012-12-05 2012-12-27 17:57:15 by qq364085265
[Vasp&Me ] [已完结]关于BTO的双势井曲线,请问的我的计算方法是否有误? (8/1056) leonidasn 2012-12-14 2012-12-27 16:09:28 by iamikaruk
[MS] [已完结]聚乙烯的分子动力学模拟—热解    ( 1 2 ) (11/1316) 学员AcTPy7 2012-12-21 2012-12-27 15:45:58 by qq364085265
[Vasp&Me ] [已完结]金属催化剂的,vasp貌似收敛不了 (4/705) rainyxiao 2012-12-22 2012-12-27 15:05:56 by kobe6777
[Vasp&Me ] [已完结]vasp 计算能带问题 (5/1247) xiehui0608 2012-12-21 2012-12-27 15:02:35 by kobe6777
[热点前沿 ] [已完结]吸附能为71kJ/mol,但分析A的重叠布居数可断定是物理吸附,但吸附能这么大,正常吗?    ( 1 2 ) (10/1412) fanhongxiang 2012-12-13 2012-12-27 11:07:07 by fanhongxiang
[Vasp&Me ] [已完结]VAPS费米能级 (4/1016) liuqun 2012-12-25 2012-12-27 10:45:21 by solarman
[Vasp&Me ] [已完结]KPOINTS和OUTCAR中有些不符 请教各位 (2/313) lzlgcdc 2012-12-26 2012-12-27 10:44:46 by lzlgcdc
[Vasp&Me ] [已完结]请教一下周期性结构中K—S方程是怎么建立起来的? (1/182) physicistwp 2012-12-27 2012-12-27 10:34:09 by physicistwp
[MS] [已完结]拿到单晶结构的cif文件,如何用MS读出两个原子间的距离 (5/1557) sss0234 2012-12-26 2012-12-27 10:22:52 by emilyoyang
[资源] [已完结]求助文献一篇,关于石墨烯的实验文献 (0/199) wup123 2012-12-27 2012-12-27 09:51:11 by wup123
[Wien2k& ] [已完结]wien2k中自旋极化计算的步骤 (4/1358) kuiziyang 2012-12-25 2012-12-27 00:04:04 by chenyuchen
[MS] [已完结]求Materials Studio软件,能使用给50BB!!!!!!!!!!!!! (1/340) smile1022 2012-12-26 2012-12-26 20:44:47 by 原来是梦8804
[Vasp&Me ] [已完结]vasp画能带问题 求教各位 (4/1104) lzlgcdc 2012-12-25 2012-12-26 19:30:47 by lzlgcdc
[Vasp&Me ] [已完结]Grimme的DFT-D2方法中,只列出了周期表前五行元素的C和R的值,其他元素的值怎么算呢? (2/1020) rainxin2008 2012-12-21 2012-12-26 16:22:11 by rainxin2008
[Wien2k& ] [已完结]画电荷密度的时候rhoplot不显示图形是怎么回事儿 (0/317) 迷路的游侠 2012-12-26 2012-12-26 15:53:39 by 迷路的游侠
[Vasp&Me ] [已完结]电荷密度作图 vasp    ( 1 2 ) (13/1323) lzlgcdc 2012-12-24 2012-12-26 15:50:32 by lzlgcdc
[MS] [已完结]建立不同组分的合金晶胞 (3/759) cheapskate 2012-12-25 2012-12-26 14:49:00 by gy850501
[MS] [已完结]能带计算时说文件名保存不正确怎么回事? (9/855) 桥上人 2012-12-20 2012-12-26 14:38:01 by gy850501
[MS] [已完结]关于MS建模中不显示原子的问题求助 (1/1523) farfaraway08 2012-12-25 2012-12-26 11:50:48 by farfaraway08
[MS] [已完结]求文献 (Springer, Berlin, 1988) (0/351) 123xianou 2012-12-26 2012-12-26 10:01:12 by 123xianou
[Vasp&Me ] [已完结]求大神赐势文件! (0/435) meiwei1988 2012-12-25 2012-12-25 18:36:09 by meiwei1988
[Vasp&Me ] [已完结]如何提高sqs的速度 (0/743) 呜呜哗啦 2012-12-25 2012-12-25 15:49:37 by 呜呜哗啦
[QE(Pwsc ] [已完结]QE计算化学位移时一些参数 (7/870) yxfwelldone 2012-11-21 2012-12-25 13:54:07 by yxfwelldone
[MS] [已完结]关于结构的稳定性    ( 1 2 3 ) (22/1720) 444239852 2012-10-06 2012-12-25 13:47:54 by 呜呜哗啦
[Vasp&Me ] [已完结]vasp做neb异常退出 (1/912) tzyioo 2012-12-24 2012-12-25 11:00:53 by tzyioo
[QE(Pwsc ] [已完结]关于neb输出文件的疑问 (0/784) 骑英奔腾 2012-12-25 2012-12-25 10:30:01 by 骑英奔腾
[资源] [已完结]MPI并行出错,诚心求助~~ (2/1206) yjhqdm 2012-09-06 2012-12-25 10:27:28 by hnuzhoulin
[MS] [已完结]MS里切HCP晶体表面的问题 (0/721) mfshun1013 2012-12-25 2012-12-25 10:23:20 by mfshun1013
[Vasp&Me ] [已完结]vasp能算团簇的极化率吗 (0/218) ikea1984 2012-12-25 2012-12-25 09:35:20 by ikea1984
[QE(Pwsc ] [已完结]关于projfwc.x 输出文件的疑问 (4/603) 骑英奔腾 2012-12-20 2012-12-25 09:17:12 by 骑英奔腾
[MS] [已完结]MS6.0 安装不成功怎么处理,求各位大神帮个忙啊。。。急死了 (1/430) Zr891002 2012-12-24 2012-12-25 08:37:14 by s20080718
[MS] [已完结]CASTEP计算化合物高压投什么期刊? (5/516) hwceng0816 2012-12-23 2012-12-25 07:46:05 by hwceng0816
[Vasp&Me ] [已完结]能带问题 DOS问题 请各位大侠帮我看看 (9/1235) lzlgcdc 2012-12-23 2012-12-25 00:06:15 by lzlgcdc
[Wien2k& ] [已完结]求助wien2k编译fftw错误 (1/763) 迷路的游侠 2012-12-24 2012-12-24 23:35:26 by 迷路的游侠
[QE(Pwsc ] [已完结]example05里面的些许疑问 (0/341) 骑英奔腾 2012-12-24 2012-12-24 22:42:04 by 骑英奔腾
[MS] [已完结]CASTEP算出GaAs的band gap为0.082eV,该怎么处理? (7/2366) eilliet0210 2012-12-20 2012-12-24 22:31:53 by flight726
[Vasp&Me ] [已完结]关于CONTCAR和OUTCAR (0/315) yinhanqing 2012-12-24 2012-12-24 20:56:42 by yinhanqing
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