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    [热点] 想上研究生啊 狼姐姐1 2019-03-19 刚刚
    [QE(Pwsc ] 用QE计算声子谱出错,求大神帮忙,谢谢 5 (1/67) Asdfgghwkw 2019-03-16 2019-03-17 09:22:47 by Asdfgghwkw
    [QE(Pwsc ] 科恩异常的问题 (3/75) 我爱学习0108 2019-03-07 2019-03-07 12:41:13 by 漫天飘雪
    [QE(Pwsc ] cp.x模块中速度如何加 20 (0/26) Master陈超 2019-03-06 2019-03-06 17:01:10 by Master陈超
    [QE(Pwsc ] QE(cp.x) 50 (0/49) Master陈超 2019-02-26 2019-02-26 16:55:23 by Master陈超
    [QE(Pwsc ] pp.x计算partial charge density 35 (3/496) 杨康000 2016-06-22 2019-01-31 13:55:08 by mzp123
    [QE(Pwsc ] [已完结]QE输出的矩阵元有很多的NaN (5/209) 边城雪 2019-01-22 2019-01-27 00:37:51 by 边城雪
    [QE(Pwsc ] [已完结]声子的pdos,为什么输出的phonon.dos只有2列数据呢?    ( 1 2 ) (14/465) qdc19800214 2016-04-27 2019-01-18 21:45:35 by 漫天飘雪
    [QE(Pwsc ] 求推荐国内使用QE或者研究电声相互作用的课题组和大牛 30 (2/192) heyong0104 2019-01-16 2019-01-17 13:47:04 by heyong0104
    [QE(Pwsc ] [已完结]原子坐标设置 ibrav问题 (0/105) mamixian 2019-01-11 2019-01-11 18:58:47 by mamixian
    [QE(Pwsc ] EPW在计算电声耦合方面要比QE更准确吗? (4/448) liuxinbao 2018-07-09 2019-01-10 13:52:07 by jingyan254
    [QE(Pwsc ] QE(cppp.x) (14/130) Master陈超 2019-01-09 2019-01-09 12:29:20 by yangyunmin
    [QE(Pwsc ] QE-CPPP 20 (0/76) Master陈超 2019-01-08 2019-01-08 12:11:06 by Master陈超
    [QE(Pwsc ] QE(PWSCF)考虑范德华力需要的vdW_kernel_table文件 (0/106) heyong0104 2019-01-07 2019-01-07 17:27:27 by heyong0104
    [QE(Pwsc ] QE(CPMD) (8/141) Master陈超 2019-01-02 2019-01-02 20:43:31 by Master陈超
    [QE(Pwsc ] 【求助成功】vc-relax优化后的 (1ST强帖+1)(19/913) 改王之王 2011-04-02 2019-01-02 19:12:12 by Master陈超
    [QE(Pwsc ] 以石墨烯为例Pwscf计算能带的详细步骤和要点 (9/1646) xinqing98 2013-08-17 2019-01-02 08:46:25 by mamixian
    [QE(Pwsc ] 计算声子谱出错,困扰很久了,求各位前辈帮忙 10 (1/236) liu_zheng_t 2018-12-06 2018-12-28 18:00:34 by heyong0104
    [QE(Pwsc ] pwscf中LDA+U加U计算结合gamma点声子 80 (2/205) NickyHCQ 2018-12-02 2018-12-28 17:46:34 by 漫天飘雪
    [QE(Pwsc ] QE相比于VASP的优势和劣势 50 (4/322) heyong0104 2018-12-26 2018-12-27 18:36:55 by heyong0104
    [QE(Pwsc ] 关于QE做第一性原理MD收敛的问题 50 (2/540) 茶味果冻 2015-08-24 2018-12-27 15:26:20 by Master陈超
    [QE(Pwsc ] [已完结]ibrav与celldm的用处    ( 1 2 ) (1ST强帖+1)(11/1101) sunyang1988 2011-05-03 2018-12-27 14:16:13 by 旅行者wsm
    [QE(Pwsc ] 关于QE的NEB计算 5 (1/110) edc有凉介 2018-11-15 2018-12-26 19:22:16 by 眼外的我
    [QE(Pwsc ] 怎么分析分子动力学模块cp.x的运算结果?    ( 1 2 ) 5 (19/938) huazhorg 2012-11-27 2018-12-24 13:23:43 by Master陈超
    [QE(Pwsc ] QE计算声电耦合最后lambda.x出现问题 50 (1/476) andy101199 2016-08-11 2018-12-19 19:32:34 by NickyHCQ
    [QE(Pwsc ] CE法 100 (0/47) suyiluca 2018-12-08 2018-12-08 22:18:30 by suyiluca
    [QE(Pwsc ] 【求助】pwscf 计算H2的频率有10000多的虚频? (21/658) 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 (28/4250) souledge 2018-01-31 2018-12-02 12:36:49 by wmnick
    [QE(Pwsc ] 赝势判断 赝势确定 收敛性判定 pseudopotential 100 (5/339) lswzj 2018-11-26 2018-12-01 13:54:48 by mhslee
    [QE(Pwsc ] 晶格振动模式分析 10 (5/732) 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 ) (52/4615) 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 (4/454) 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 (7/750) 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 (9/802) museld 2015-12-23 2018-11-16 07:03:46 by peoplemotu
    [QE(Pwsc ] 电声耦合计算中,alpha2f.dat里面全是NaN 10 (9/786) Local_Spin 2013-12-19 2018-11-15 06:06:23 by 哒哒虫
    [QE(Pwsc ] 运行pw2wannier90.x报错 10 (7/787) qujinfeng 2015-03-25 2018-11-14 13:03:41 by 霍尾生
    [QE(Pwsc ] wannier90安装出错 10 (2/393) 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 (7/305) 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 (8/973) 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 (1/155) 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 (0/131) svdn 2018-10-30 2018-10-30 22:47:17 by svdn
    [QE(Pwsc ] 计算能带的过程 (8/466) 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? (2/305) pxqduichen 2018-06-27 2018-10-20 12:13:03 by yuzhouhenhei
    [QE(Pwsc ] [已完结]UPF赝势版本问题 (3/451) 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 (4/1393) 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 (3/325) 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 (1/155) 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 (0/62) 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 (1/1765) yhl1023 2017-02-24 2018-10-16 06:11:29 by xiaoqi8888
    [QE(Pwsc ] 怎么求声子分波态密度 (14/153) 求知守一 2018-10-12 2018-10-15 10:55:28 by 漫天飘雪
    [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? (8/641) 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 (1/137) 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 (3/339) 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 (1/218) 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 (2/209) 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 (0/159) 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)(16/2644) 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 (1/393) 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! (5/591) 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 (3/469) 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 (4/178) 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? (9/456) 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 (4/455) 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 (10/462) guiwei2018 2018-08-31 2018-09-05 11:32:37 by 张玲海
    [QE(Pwsc ] QE计算简并度 (0/92) Marky_Dale 2018-08-31 2018-08-31 23:19:00 by Marky_Dale
    [QE(Pwsc ] 2013复旦PWScf 培训资源 (14/1341) 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 (7/775) 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 (0/101) JAZZZZZ 2018-08-27 2018-08-27 14:46:12 by JAZZZZZ
    [QE(Pwsc ] [已完结]pwscf画能带图求助 (6/645) 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? (4/429) 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 (10/291) guiwei2018 2018-07-06 2018-08-18 10:16:24 by DFPT
    [QE(Pwsc ] pwscf 计算拉曼结果 5 (1/272) 蜜糖苏琦 2015-01-19 2018-08-14 13:56:13 by psysunm
    [QE(Pwsc ] 键态和反键态 5 (7/770) 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 ) (27/4035) HSE06 2013-06-06 2018-08-08 16:28:31 by 1175535192
    [QE(Pwsc ] PYXAID软件的安装。 100 (1/497) 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 (2/282) shenxinwei 2017-03-26 2018-08-07 12:10:08 by year@
    [QE(Pwsc ] 坐标的转换 5 (2/143) 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? (2/293) 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 (3/142) 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 (3/357) 漫天飘雪 2018-07-12 2018-07-18 09:22:48 by 李蕊199387
    [QE(Pwsc ] 请求帮助在linux安装QE 5 (1/155) guiwei2018 2018-07-11 2018-07-11 23:07:59 by dj20516
    [QE(Pwsc ] 如何用Quantum ESPRESSO 计算 bader charge 5 (1/265) 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) (5/489) 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 (2/176) 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 (1/353) 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 (1/271) 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 (0/192) 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 (1/271) 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 (1/153) 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 (3/374) 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 (3/332) 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 ) (60/3452) 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 (3/322) 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 (6/866) 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 (6/335) jianying212 2011-12-20 2018-05-21 16:35:12 by 晋晋高高
    [QE(Pwsc ] 能带计算 100 (2/266) 求知守一 2017-12-19 2018-05-16 13:37:15 by 拥抱海岛
    [QE(Pwsc ] 计算费米面时遇到的问题    ( 1 2 3 ) 1 (26/758) 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 (2/291) 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? (8/770) 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) (4/700) xiaoqiu007 2011-06-28 2018-05-03 06:34:20 by W.Z.Zhou
    [QE(Pwsc ] 求助QE势函数 30 (0/112) Amoy789654 2018-05-02 2018-05-02 23:47:09 by Amoy789654
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