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    [热点] 考博失败了。自己联系的老师,什么样的结果都要自己承担。 prcwjy 2018-12-15 刚刚
    [QE(Pwsc ] 新手,想请教一些这个错误是什么意思,谢谢 10 (0/42) mamixian 2018-12-12 2018-12-12 19:25:07 by mamixian
    [QE(Pwsc ] CE法 100 (0/31) suyiluca 2018-12-08 2018-12-08 22:18:30 by suyiluca
    [QE(Pwsc ] 计算声子谱出错,困扰很久了,求各位前辈帮忙 10 (0/51) liu_zheng_t 2018-12-06 2018-12-06 16:49:15 by liu_zheng_t
    [QE(Pwsc ] 【求助】pwscf 计算H2的频率有10000多的虚频? (21/561) minmin_0082003 2011-03-14 2018-12-04 13:15:17 by mzlly
    [QE(Pwsc ] [专家] Quantum-ESPRESSO, 5.4.0, 并行,64-bit,Windows版 (28/3545) souledge 2018-01-31 2018-12-02 12:36:49 by wmnick
    [QE(Pwsc ] pwscf中LDA+U加U计算结合gamma点声子 80 (0/55) NickyHCQ 2018-12-02 2018-12-02 10:33:33 by NickyHCQ
    [QE(Pwsc ] 赝势判断 赝势确定 收敛性判定 pseudopotential 100 (5/147) lswzj 2018-11-26 2018-12-01 13:54:48 by mhslee
    [QE(Pwsc ] 晶格振动模式分析 10 (5/620) amynliou 2014-05-03 2018-11-28 19:51:54 by 刘性辉
    [QE(Pwsc ] 【原创】PWscf计算IR和Raman谱的步骤和注意事项    ( 1 2 ) (52/4273) watermall 2010-04-26 2018-11-22 21:14:28 by lswzj
    [QE(Pwsc ] 请问优化晶格参数一般是怎么做的? 100 (4/261) 眼外的我 2018-09-25 2018-11-21 12:03:09 by 分子模拟新手
    [QE(Pwsc ] [已完结]QE nscf K点问题 (7/618) afan0012 2017-01-13 2018-11-20 17:44:20 by ruanlianghao
    [QE(Pwsc ] PWSCF计算的态密度和vasp软件计算得到的态密度不一致 85 (9/670) museld 2015-12-23 2018-11-16 07:03:46 by peoplemotu
    [QE(Pwsc ] 关于QE的NEB计算 5 (0/59) edc有凉介 2018-11-15 2018-11-15 16:15:41 by edc有凉介
    [QE(Pwsc ] 电声耦合计算中,alpha2f.dat里面全是NaN 10 (9/605) Local_Spin 2013-12-19 2018-11-15 06:06:23 by 哒哒虫
    [QE(Pwsc ] 运行pw2wannier90.x报错 10 (7/593) qujinfeng 2015-03-25 2018-11-14 13:03:41 by 霍尾生
    [QE(Pwsc ] wannier90安装出错 10 (2/307) qujinfeng 2015-03-18 2018-11-12 13:31:50 by 霍尾生
    [QE(Pwsc ] Quantum Espresso dat文件转换出错 10 (7/160) Harusame97 2018-11-10 2018-11-10 14:07:29 by Harusame97
    [QE(Pwsc ] [求助] QE里面kpoints.x文件的输入文件怎么写? 18 (8/696) liuxinbao 2017-07-20 2018-11-09 16:18:34 by 哒哒虫
    [QE(Pwsc ] QE计算pdos遇到问题,求指教! 5 (1/97) Bonnie_Du 2018-11-07 2018-11-07 17:00:47 by 漫天飘雪
    [QE(Pwsc ] 求助算hse06能带bands.x时报错“Wrong classes for C_3v”是什么问题 20 (0/62) svdn 2018-10-30 2018-10-30 22:47:17 by svdn
    [QE(Pwsc ] 计算能带的过程 (8/387) Hu-k 2018-05-08 2018-10-22 15:26:53 by 漫天飘雪
    [QE(Pwsc ] [已完结]QEWindows版安装后,运行input文件一直显示waiting for input……,为什么呢? (2/197) pxqduichen 2018-06-27 2018-10-20 12:13:03 by yuzhouhenhei
    [QE(Pwsc ] [已完结]UPF赝势版本问题 (3/336) hit_yu 2016-12-12 2018-10-17 18:51:54 by Anchor晓晓
    [QE(Pwsc ] 请问,有使用epw的虫友吗,帮忙看一下参数设置,一直不能运行。谢谢 100 (4/992) zhaostao 2016-06-15 2018-10-17 07:29:40 by year@
    [QE(Pwsc ] 请问使用EPW的虫友,在计算epw3.in时参数错误,请帮忙解答 10 (3/229) 小莫2016 2018-01-15 2018-10-17 07:28:10 by year@
    [QE(Pwsc ] 计算声子谱时matdyn的问题 10 (1/104) Xolento 2018-10-16 2018-10-17 07:23:31 by 漫天飘雪
    [QE(Pwsc ] qe中用vc-relax进行结构优化出现下面错误 5 (0/39) xiaoqi8888 2018-10-16 2018-10-16 08:35:17 by xiaoqi8888
    [QE(Pwsc ] 刚开始接触QE,在计算vc-relax时,关于运行结果有太多问题 30 (1/1482) yhl1023 2017-02-24 2018-10-16 06:11:29 by xiaoqi8888
    [QE(Pwsc ] 怎么求声子分波态密度 (14/88) 求知守一 2018-10-12 2018-10-15 10:55:28 by 漫天飘雪
    [QE(Pwsc ] 以石墨烯为例Pwscf计算能带的详细步骤和要点 (8/1383) xinqing98 2013-08-17 2018-10-15 07:21:22 by 0Reliance
    [QE(Pwsc ] [已完结]QE中计算态密度时,SCF计算完后,为什么还要再进行nscf计算? (8/472) voleyes 2018-03-16 2018-10-10 05:59:55 by 录过天晴
    [QE(Pwsc ] 新手求模拟,计算介电常数 5 (1/101) 威武霸气a 2018-09-27 2018-10-01 19:19:33 by 123dingyc
    [QE(Pwsc ] yambo安装 没有报错 运行其自带例子时 报错 求助 (3/248) meyhf 2012-10-14 2018-09-30 12:50:25 by 眼外的我
    [QE(Pwsc ] 杂化泛函计算二维材料 20 (1/176) hexin1982 2018-09-27 2018-09-27 21:11:26 by 前田庆次
    [QE(Pwsc ] [已完结]求助 xcrysden-1.5.21 版本 (2/192) kobe6777 2016-03-29 2018-09-27 11:33:30 by 雨后是伤
    [QE(Pwsc ] 求助,bands.x 出现错误 10 (0/102) 长弓逐月 2018-09-26 2018-09-26 16:26:00 by 长弓逐月
    [QE(Pwsc ] [专家] [已完结]声子色散谱的分析    ( 1 2 ) (1ST强帖+1)(16/2402) souledge 2011-09-14 2018-09-23 14:57:44 by ms初学
    [QE(Pwsc ] 关于用Pwscf计算超导的问题 30 (1/298) SUN WONG 2017-08-24 2018-09-19 08:19:24 by 171002020
    [QE(Pwsc ] [已完结]求助quantum-espresso使用问题! (5/493) wdaobin 2014-05-10 2018-09-18 14:29:18 by 素月英盈心
    [QE(Pwsc ] 请教一个关于QE计算电声耦合常数K点及q点密度选取的问题 50 (3/389) conperint 2016-05-20 2018-09-13 13:11:39 by 漩涡笔记boy
    [QE(Pwsc ] 求qe安装教程 5 (4/127) Jane_CC 2018-09-11 2018-09-11 12:41:35 by Jane_CC
    [QE(Pwsc ] 【求助】pwscf能计算材料的一些宏观性质吗? (9/409) dxcharlary 2010-04-01 2018-09-09 19:52:15 by goldenfisher
    [QE(Pwsc ] 二维材料优化,QE需不需要像VASP一样有特殊设置? 10 (4/316) liu_zheng_t 2018-09-08 2018-09-08 21:23:46 by liu_zheng_t
    [QE(Pwsc ] 对Fe110面优化不收敛    ( 1 2 ) 15 (10/335) guiwei2018 2018-08-31 2018-09-05 11:32:37 by 张玲海
    [QE(Pwsc ] QE计算简并度 (0/78) Marky_Dale 2018-08-31 2018-08-31 23:19:00 by Marky_Dale
    [QE(Pwsc ] 2013复旦PWScf 培训资源 (14/1250) hn19870519 2013-07-10 2018-08-31 22:47:39 by ghf0806
    [QE(Pwsc ] QE并行计算问题,单核可运行,但多核无法运行 20 (7/538) 小莫2016 2018-06-01 2018-08-27 16:37:45 by wujiandongde
    [QE(Pwsc ] 如何计算一个格子里某些特定点上的电荷密度并且输出? 5 (0/61) JAZZZZZ 2018-08-27 2018-08-27 14:46:12 by JAZZZZZ
    [QE(Pwsc ] [已完结]pwscf画能带图求助 (6/557) cj4566 2012-08-19 2018-08-27 11:37:30 by wujiandongde
    [QE(Pwsc ] [已完结]In-plane-averaged, induced electron density 怎么计算? (4/362) zz2020 2017-08-08 2018-08-23 07:36:04 by zz2020
    [QE(Pwsc ] 求助!QE计算没有报错但是停在了某一步不再输出。    ( 1 2 ) 11 (10/242) guiwei2018 2018-07-06 2018-08-18 10:16:24 by DFPT
    [QE(Pwsc ] pwscf 计算拉曼结果 5 (1/234) 蜜糖苏琦 2015-01-19 2018-08-14 13:56:13 by psysunm
    [QE(Pwsc ] 键态和反键态 5 (7/690) dengwan1993 2016-10-24 2018-08-13 12:46:33 by 啊辉辉
    [QE(Pwsc ] 学习PWSCF(一):能带计算步骤与讨论    ( 1 2 3 ) (27/3593) HSE06 2013-06-06 2018-08-08 16:28:31 by 1175535192
    [QE(Pwsc ] PYXAID软件的安装。 100 (1/279) maoxinxina 2018-07-11 2018-08-07 17:41:09 by 子虚乌有5388
    [QE(Pwsc ] [已完结]ferimi surface计算 (2/258) shenxinwei 2017-03-26 2018-08-07 12:10:08 by year@
    [QE(Pwsc ] 坐标的转换 5 (2/106) 康师傅厉害 2018-07-29 2018-07-30 10:44:02 by dj20516
    [QE(Pwsc ] 用QE做自洽计算,为什么K点去太密时收敛不了? (2/250) greylight 2014-05-27 2018-07-29 18:37:03 by 漫天飘雪
    [QE(Pwsc ] 关于MAPbI3吸附的一些问题 (3/100) edc有凉介 2018-07-19 2018-07-24 14:29:27 by edc有凉介
    [QE(Pwsc ] QE(pwscf) 计算范德华力需要的文件vdW_kernel_table (3/283) 漫天飘雪 2018-07-12 2018-07-18 09:22:48 by 李蕊199387
    [QE(Pwsc ] EPW在计算电声耦合方面要比QE更准确吗? (2/213) liuxinbao 2018-07-09 2018-07-12 13:33:36 by 默歧
    [QE(Pwsc ] 请求帮助在linux安装QE 5 (1/126) guiwei2018 2018-07-11 2018-07-11 23:07:59 by dj20516
    [QE(Pwsc ] 如何用Quantum ESPRESSO 计算 bader charge 5 (1/205) yangjun102 2018-07-04 2018-07-11 16:46:47 by yangjun102
    [QE(Pwsc ] 求助:Rocks 6.1集群搭建不能跨节点并行 15 (评阅+5) (5/413) 沐心精灵 2015-03-01 2018-07-07 16:15:59 by 狻猊-狴犴
    [QE(Pwsc ] 请问,NEB计算中初始结构与最终结构的cell parameter可以不同吗? 30 (2/140) han54555 2018-04-26 2018-06-30 07:42:02 by hexin1982
    [QE(Pwsc ] QE计算声子分波态密度 25 (1/291) 2011412843 2017-05-08 2018-06-24 13:17:24 by 漫天飘雪
    [QE(Pwsc ] 求助一份VNL2015的license 13 (1/214) guiwei2018 2018-06-21 2018-06-21 13:51:32 by 未岸亡灵
    [QE(Pwsc ] QE计算的DFT-PBE的能量差异多少能说明有能量差? 20 (0/137) fshadow 2018-06-19 2018-06-19 06:58:53 by fshadow
    [QE(Pwsc ] 求大神帮忙看neb代码是否正确 8 (1/218) xyj890825 2017-10-11 2018-06-14 14:25:14 by huichaol
    [QE(Pwsc ] 求助:进行费米面计算到总态密度时出现错误 20 (1/122) sbingyi 2018-06-07 2018-06-08 15:58:45 by sbingyi
    [QE(Pwsc ] 各位大神,安装wannier90后 ,如何接到 QE 上? 15 (3/278) 1xiaohua1 2018-06-06 2018-06-06 21:33:58 by lhdd5483
    [QE(Pwsc ] [已完结]计算实空间的local dos (3/288) 杨康000 2016-07-17 2018-05-29 08:29:59 by gengw07
    [QE(Pwsc ] [有志者分享]毕业前收集的学习资料——QE(Pwscf)篇    ( 1 2 ) (60/3342) youzhizhe 2012-10-19 2018-05-25 13:50:33 by sbingyi
    [QE(Pwsc ] 计算每个原子上的自旋电荷密度的值 50 (3/285) 1327744130 2017-11-01 2018-05-22 12:46:51 by kule150
    [QE(Pwsc ] 请教Quantum Espresso 画ELF(电子局域函数)图像为什么出现这样的错误? 5 (6/769) caoyonghua 2016-11-01 2018-05-22 06:29:14 by qnclqq
    [QE(Pwsc ] 请问我的new CRYSTAL-95/98/03/06 input怎么是灰色的,无法新建文件呢? 1 (6/287) jianying212 2011-12-20 2018-05-21 16:35:12 by 晋晋高高
    [QE(Pwsc ] 能带计算 100 (2/238) 求知守一 2017-12-19 2018-05-16 13:37:15 by 拥抱海岛
    [QE(Pwsc ] 求助电声耦合不收敛 运行终止 kpoint 516 ibnd 19 solve_linter: root not converged 50 (7/427) qdc19800214 2016-07-23 2018-05-16 04:11:50 by AryaLu
    [QE(Pwsc ] 计算费米面时遇到的问题    ( 1 2 3 ) 1 (26/699) wilsun7 2012-06-27 2018-05-15 17:26:47 by AryaLu
    [QE(Pwsc ] 【求助】NEB计算过渡态势垒,审稿人问行波函数,各位知道是什么么? 10 (2/250) qnclqq 2018-05-14 2018-05-15 14:58:03 by qnclqq
    [QE(Pwsc ] [已完结]pwscf-5.0得到的声子谱很乱是怎么回事? (8/714) weiyongkai 2013-05-08 2018-05-06 13:33:21 by AryaLu
    [QE(Pwsc ] pwscf计算raman光谱报错 10 (评阅+1) (4/606) xiaoqiu007 2011-06-28 2018-05-03 06:34:20 by W.Z.Zhou
    [QE(Pwsc ] 求助QE势函数 30 (0/95) Amoy789654 2018-05-02 2018-05-02 23:47:09 by Amoy789654
    [QE(Pwsc ] 求有关qe电声耦合原理的文章 5 (0/119) 让日子发亮 2018-04-30 2018-04-30 12:51:40 by 让日子发亮
    [QE(Pwsc ] 并行安装成功,运行出错。 10 (4/750) ridge8888 2014-11-02 2018-04-29 12:50:05 by 回忆轩辕
    [QE(Pwsc ] 在win8.1系统下,利用cygwin安装xcrysden后没有报错却无法打开 50 (9/593) 不明觉厉 2015-06-10 2018-04-28 13:46:04 by ontaii
    [QE(Pwsc ] 怎么分析lowdin charge    ( 1 2 ) 3 (14/709) huazhorg 2012-06-06 2018-04-27 14:12:20 by Mady_Horse
    [QE(Pwsc ] QE的赝势生成问题 30 (1/147) 不明觉厉 2018-04-25 2018-04-25 20:03:10 by 漫天飘雪
    [QE(Pwsc ] QE进行scf计算时,k点的设置需要加offset吗? 5 (1/172) voleyes 2018-04-19 2018-04-24 03:07:28 by voleyes
    [QE(Pwsc ] 缺陷体系结构优化求助 (0/69) cysghert 2018-04-19 2018-04-19 20:29:01 by cysghert
    [QE(Pwsc ] pwscf输出文件报错,原子坐标被忽略 5 (3/212) 茶味果冻 2014-10-14 2018-04-17 06:17:12 by 眼外的我
    [QE(Pwsc ] [已完结]怎么画那种标高对称点的能带图啊 (5/299) voleyes 2018-04-11 2018-04-13 12:20:01 by 前田庆次
    [QE(Pwsc ] 硅烯声子谱G点附近虚频    ( 1 2 3 ) 20 (29/1325) 坏逊平儿 2016-08-02 2018-04-09 19:21:50 by tao325
    [QE(Pwsc ] 你们怎么处理Gamma的虚频的? 10 (4/382) Local_Spin 2014-03-21 2018-04-09 08:53:25 by tsglss
    [QE(Pwsc ] 求大神指点,QE安装之后无法运行example的问题 20 (0/111) 哇咔咔贪吃蛇 2018-04-04 2018-04-04 17:29:12 by 哇咔咔贪吃蛇
    [QE(Pwsc ] Co3O4的LDA+U计算报错求助 20 (6/634) c_chi 2015-03-16 2018-04-01 06:06:38 by 迷迷物理
    [QE(Pwsc ] [已完结]新手求助pwscf的进行磁性运算和LDA+U运算    ( 1 2 3 4 ) (35/1107) 刘仕晨 2013-03-20 2018-04-01 06:05:33 by 迷迷物理
    [QE(Pwsc ] [已完结]Quantum ESPRESSO编译和运行 (6/557) yangjun102 2017-08-29 2018-03-28 06:18:47 by souledge
    [QE(Pwsc ] 输入文件的单胞设定等等(适用于初学者,持续更新中......)    ( 1 2 ) (53/2073) yoghurt117 2012-01-27 2018-03-26 06:19:38 by 张宇奇
    [QE(Pwsc ] [已完结]pw5.4.0 计算电声耦合,出现 Wrong classes for C_3v (6/565) qdc19800214 2016-11-11 2018-03-21 11:44:53 by qdc19800214
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