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[热点] 求个博导看看 看看看看我吧 2026-01-02 刚刚
[QE(Pwsc ] [已完结]pwscf算电声耦合，出现root not converged之类的错误 (5/2230) dx0620 2014-04-24 2021-01-07 11:08:30 by EveQin
[QE(Pwsc ] [已完结]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 (5/5966) zhaostao 2016-06-15 2020-12-26 12:15:17 by jkdfh
[QE(Pwsc ] 有偿求助软件的安装！ 5 (0/991) abinit432 2020-12-24 2020-12-24 20:02:46 by abinit432
[QE(Pwsc ] [已完结]怎么分析lowdin charge    ( 1 2 ) (15/3452) huazhorg 2012-06-06 2020-12-08 01:52:57 by 风飞婷
[QE(Pwsc ] 求usp2upf（一个将CASTEP中on-the-fly赝势转化为PWscf中赝势的小程序） 50 (1/1149) cudesk 2020-11-24 2020-11-25 09:27:25 by 漫天飘雪
[QE(Pwsc ] QE用HSE06计算si的能带 6 (16/1182) jkdfh 2020-11-21 2020-11-25 09:07:21 by 苏州华博
[QE(Pwsc ] [已完结]Quantum Espresso 安装过程，make 之后遇到问题。请大家多多指教 (1/2238) 奔流的河 2020-11-23 2020-11-24 14:52:50 by 奔流的河
[QE(Pwsc ] QE中进行HSE计算K点及高对称点如何选取 30 (2/2631) 夏沫有约 2020-10-28 2020-11-23 21:36:10 by 夏沫有约
[QE(Pwsc ] QE用HSE方法计算缺陷能带求助 30 (1/1345) 夏沫有约 2020-11-09 2020-11-09 15:35:13 by 夏沫有约
[QE(Pwsc ] [已完结]二维材料优化，QE需不需要像VASP一样有特殊设置？ (5/2924) liu_zheng_t 2018-09-08 2020-11-04 14:23:50 by tao325
[QE(Pwsc ] 用QE计算HSE问题请教 (19/2161) 夏沫有约 2020-10-04 2020-10-12 09:17:21 by 夏沫有约
[QE(Pwsc ] QE中如何计算HSE杂化泛函？ 20 (5/2498) 夏沫有约 2020-09-21 2020-10-12 09:14:20 by 夏沫有约
[QE(Pwsc ] [已完结]MgB2超导转变温度 (3/4766) flying_lw 2014-05-14 2020-09-25 14:02:08 by Robin122R
[QE(Pwsc ] [已完结]QE并行求PDOS报错 (3/3206) 赵奇一 2015-07-15 2020-09-24 07:21:27 by whr2019
[QE(Pwsc ] qe安装环境配置 30 (1/1078) 夏沫有约 2020-06-10 2020-09-21 16:59:44 by 夏沫有约
[QE(Pwsc ] 如何提高QE计算速度 20 (1/2479) 夏沫有约 2020-07-19 2020-09-21 16:57:14 by 夏沫有约
[QE(Pwsc ] QE怎么使用HSE杂化泛函计算能带？ (1/2151) 眼外的我 2019-05-29 2020-09-19 17:31:47 by 夏沫有约
[QE(Pwsc ] The Release of Quantum ESPRESSO v. 6.6 6 (4/1075) 漫天飘雪 2020-08-06 2020-09-04 07:04:53 by 考拉VS博比
[QE(Pwsc ] [已完结]lda+u报错 (4/2520) c_chi 2014-08-26 2020-09-01 11:06:07 by whr2019
[QE(Pwsc ] qe6.6运行段错误（174） (0/832) kczhang 2020-08-31 2020-08-31 09:16:41 by kczhang
[QE(Pwsc ] 请问使用hse计算scf结果里不出现带隙相关参数可能是什么原因？ (1/1093) Qualiazero 2020-08-02 2020-08-04 08:46:20 by Qualiazero
[QE(Pwsc ] [已完结]QE nscf K点问题 (8/4353) afan0012 2017-01-13 2020-08-03 06:21:07 by zz11ss11zz
[QE(Pwsc ] QE计算细节请教 (5/2870) 夏沫有约 2020-07-19 2020-07-22 22:18:30 by 夏沫有约
[QE(Pwsc ] QE计算细节请教 20 (2/1632) 夏沫有约 2020-07-19 2020-07-22 15:18:46 by 夏沫有约
[QE(Pwsc ] EPW在计算电声耦合方面要比QE更准确吗？ (8/5375) liuxinbao 2018-07-09 2020-07-14 17:04:08 by zz11ss11zz
[QE(Pwsc ] 请问plumed patch qe之后为什么没有output？ 10 (0/784) 共氧 2020-06-28 2020-06-28 15:32:47 by 共氧
[QE(Pwsc ] 虚拟机上安装xcrysden出错求助 (5/1350) 夏沫有约 2020-06-21 2020-06-22 09:38:29 by 夏沫有约
[QE(Pwsc ] [已完结]新手提问：利用BURAI 模拟金刚石结构硅 能带能隙怎么是0.6eV，和半导体1.12ev不一样 (7/2373) sd614713 2020-02-29 2020-06-20 17:43:09 by 夏沫有约
[QE(Pwsc ] 怎么在matdyn.modes 文件中提取本征矢量？为什么XYZ有六列 20 (1/1428) 小莫2016 2020-06-17 2020-06-17 13:21:38 by 漫天飘雪
[QE(Pwsc ] [已完结]求qe安装教程 (5/1369) Jane_CC 2018-09-11 2020-06-10 20:20:28 by 夏沫有约
[QE(Pwsc ] 以石墨烯为例Pwscf计算能带的详细步骤和要点 (12/5617) xinqing98 2013-08-17 2020-05-24 16:44:14 by fengshiquan
[QE(Pwsc ] 请教QE能计算toy system吗？ (2/759) Qualiazero 2020-04-17 2020-04-21 21:08:50 by dxcharlary
[QE(Pwsc ] [已完结]收敛测试，这种情况我该继续测试么,简直就是跳跃式的嘛    ( 1 2 3 ) (24/4646) minmin_0082003 2012-04-16 2020-04-16 12:41:20 by bekate
[QE(Pwsc ] [已完结]用projwfc.x跑出来的 *.pdos_tot 这样的文件中第二列dos和第三列pdos数据不同的问题 (4/1711) 竹雨_朝颜 2020-03-11 2020-03-14 10:35:08 by 竹雨_朝颜
[QE(Pwsc ] [已完结]Error in routine read_namelists (1): reading namelist ions 求助 (3/8877) future_wl 2015-05-29 2020-03-10 14:00:36 by 竹雨_朝颜
[QE(Pwsc ] [已完结]QE计算PDOS如果用的是模守恒贋势算不了PDOS吗？还是projwfc.x要设置什么？ (4/2602) 竹雨_朝颜 2020-03-07 2020-03-09 19:04:22 by 竹雨_朝颜
[QE(Pwsc ] [已完结]QE（pwscf）计算计算声子谱问题 (1/3481) xioamuch 2015-06-11 2020-02-05 14:38:10 by lswzj
[QE(Pwsc ] [已完结]减少原胞中的原子个数 (0/814) chemistryxrw 2020-01-31 2020-01-31 07:29:12 by chemistryxrw
[QE(Pwsc ] [已完结]GW能带计算案例，wannier90教程案例23 (0/1660) currynar 2020-01-16 2020-01-16 11:35:26 by currynar
[QE(Pwsc ] [已完结]掺杂后电子、声子性质的变化——关于刚带模型（ragid-band approximation） (8/2307) Local_Spin 2013-02-05 2019-12-13 11:13:57 by 悄悄66
[QE(Pwsc ] [已完结]qe在redhat系统上安装出错，机子是服务器 (1/983) granular258 2019-12-03 2019-12-03 13:13:57 by granular258
[QE(Pwsc ] 关于力常数矩阵与声子谱计算时的q网格 (10/3243) newton3915 2012-06-29 2019-11-27 12:43:25 by 三岁薇恩
[QE(Pwsc ] [已完结]QE计算声-电耦合过程中，ph.x计算出的.dyn1中的动力学矩阵，包含星号，请问怎么解决 (2/1362) laughinguo 2019-11-26 2019-11-27 07:24:22 by wangsheng7073
[QE(Pwsc ] [已完结]石墨烯纳米带结构的问题    ( 1 2 ) (16/2797) hanyanli0475 2012-10-26 2019-11-11 08:13:04 by 三岁薇恩
[QE(Pwsc ] 求助QE计算电声耦合及Tc的问题 (4/2419) 172292350 2016-06-19 2019-10-29 14:05:09 by wlandy
[QE(Pwsc ] [已完结]强关联电子 (1/808) 小齐大圣 2019-10-21 2019-10-21 10:34:11 by juirich
[QE(Pwsc ] [已完结]模拟计算意义 (0/604) weichenk 2019-10-20 2019-10-20 15:04:09 by weichenk
[QE(Pwsc ] [已完结]lowdin电荷分析文章 (0/912) weichenk 2019-10-20 2019-10-20 15:01:00 by weichenk
[QE(Pwsc ] [已完结]pwscf可以算每个原子上面的电荷数么 (6/1898) minmin_0082003 2011-11-27 2019-10-17 19:55:30 by weichenk
[QE(Pwsc ] [已完结]Quantum ESPRESSO计算PDOS，怎样后处理 (3/2835) mamixian 2019-10-10 2019-10-16 08:25:08 by mamixian
[QE(Pwsc ] 【求助成功】怎么画出5个d轨道分别对应的态密度 (23/8242) feierxide 2011-03-30 2019-10-16 07:50:13 by ajp
[QE(Pwsc ] [已完结]怎么从projwfc.x程序得到的文件中找PDOS数据？ (5/1443) vallen 2013-02-28 2019-10-15 19:14:06 by mamixian
[QE(Pwsc ] [已完结]请问如何在Quantum ESPRESSO中计算材料光吸收系数（介电常数）？ (3/2129) mamixian 2019-10-09 2019-10-14 06:52:29 by siestafonda
[QE(Pwsc ] [已完结]安装 ./configure时报错：configure error :cannot run Fortran compiled programs (2/1596) mamixian 2019-09-29 2019-09-30 15:19:26 by 泡泡媛
[QE(Pwsc ] [已完结]ph.x 报错 (0/1923) MS_DIN 2019-09-28 2019-09-28 10:55:24 by MS_DIN
[QE(Pwsc ] [已完结]我在计算Q-E电声耦合时，算到第11个点时任务自己停了，试了两次都是这样 (0/1084) lxf小默 2019-09-24 2019-09-24 11:40:05 by lxf小默
[QE(Pwsc ] [已完结]Co3O4的LDA+U计算报错求助 (8/3086) c_chi 2015-03-16 2019-09-07 02:31:14 by 卡开发发
[QE(Pwsc ] [已完结]声子谱问题 (7/1638) yuekeng221 2019-08-02 2019-08-12 21:05:09 by iamikaruk
[QE(Pwsc ] 请教QE的一些问题 (2/923) lastzealot 2019-08-03 2019-08-03 17:08:25 by lastzealot
[QE(Pwsc ] [已完结]scf 不报错,结构收敛.但是文件不能用xcrysden打开 (1/786) hxj117 2019-06-22 2019-07-22 08:18:15 by neshque
[QE(Pwsc ] [已完结]在外加电场时计算能带，除了scf计算时要设置lelfiled外，bands计算时还用吗？ (8/1782) greylight 2014-05-26 2019-07-02 12:53:11 by hexin1982
[QE(Pwsc ] [已完结]求Quantum ESPRESSO软件exampel例子 (2/1679) mamixian 2019-06-16 2019-06-17 11:11:23 by mamixian
[QE(Pwsc ] [已完结]计算声子谱出错，困扰很久了，求各位前辈帮忙 (2/3824) liu_zheng_t 2018-12-06 2019-06-06 17:00:12 by ws19931017
[QE(Pwsc ] 求问siesta中mulliken的问题 (9/1210) 流浪者之辉 2019-05-22 2019-05-30 02:11:08 by zhiyongwang
[QE(Pwsc ] [已完结]projected band structure (1/1870) hexin1982 2017-12-05 2019-05-27 19:49:53 by changejian
[QE(Pwsc ] [已完结]请问用Quantum ESPRESSO做磁矩计算，应该在scf中添加什么参数呢？ (0/1183) mamixian 2019-05-22 2019-05-22 10:56:16 by mamixian
[QE(Pwsc ] [已完结]cp.x模块中速度如何加 (1/638) Master陈超 2019-03-06 2019-05-19 07:26:26 by 1247961260
[QE(Pwsc ] [已完结]关于QE优化晶胞常数以及赝势选择的问题 (2/2213) 快乐如我 2019-05-12 2019-05-13 17:19:53 by 快乐如我
[QE(Pwsc ] [已完结]Qutantum ESPRESSO磁矩计算 (0/799) mamixian 2019-05-04 2019-05-04 11:09:50 by mamixian
[QE(Pwsc ] [已完结]QE epsilon.x 总是报错无法读xml (2/825) anla_123456 2019-04-18 2019-04-28 14:28:07 by yujia1983
[QE(Pwsc ] [已完结]计算bandstructure 的时候显示：too many bands are not converged (2/2365) mamixian 2019-04-20 2019-04-21 10:38:58 by mamixian
[QE(Pwsc ] [已完结]怎么分析分子动力学模块cp.x的运算结果？    ( 1 2 3 ) (20/3428) huazhorg 2012-11-27 2019-03-22 19:04:02 by dasongjq
[QE(Pwsc ] [已完结]Error in routine cppp (1): Cannot open file .//cp_51.save/data-file.xml (2/2398) xwwjd 2016-12-07 2019-03-22 08:46:18 by dasongjq
[QE(Pwsc ] 科恩异常的问题 (3/2515) 我爱学习0108 2019-03-07 2019-03-07 12:41:13 by 漫天飘雪
[QE(Pwsc ] [已完结]QE（cp.x) (0/1259) Master陈超 2019-02-26 2019-02-26 16:55:23 by Master陈超
[QE(Pwsc ] [已完结]pp.x计算partial charge density (3/2285) 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 (5/2141) 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 ) (14/2243) qdc19800214 2016-04-27 2019-01-18 21:45:35 by 漫天飘雪
[QE(Pwsc ] [已完结]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 (2/1079) heyong0104 2019-01-16 2019-01-17 13:47:04 by heyong0104
[QE(Pwsc ] [已完结]QE-CPPP (0/725) 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 (0/2106) heyong0104 2019-01-07 2019-01-07 17:27:27 by heyong0104
[QE(Pwsc ] QE（CPMD） (8/931) 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)(19/4197) 改王之王 2011-04-02 2019-01-02 19:12:12 by Master陈超
[QE(Pwsc ] [已完结]pwscf中LDA+U加U计算结合gamma点声子 (2/1635) 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 (4/4209) heyong0104 2018-12-26 2018-12-27 18:36:55 by heyong0104
[QE(Pwsc ] [已完结]关于QE做第一性原理MD收敛的问题 (2/1902) 茶味果冻 2015-08-24 2018-12-27 15:26:20 by Master陈超
[QE(Pwsc ] [已完结]关于QE的NEB计算 (1/840) edc有凉介 2018-11-15 2018-12-26 19:22:16 by 眼外的我
[QE(Pwsc ] [已完结]QE计算声电耦合最后lambda.x出现问题 (1/2820) andy101199 2016-08-11 2018-12-19 19:32:34 by NickyHCQ
[QE(Pwsc ] [已完结]赝势判断 赝势确定 收敛性判定 pseudopotential (5/1655) lswzj 2018-11-26 2018-12-01 13:54:48 by mhslee
[QE(Pwsc ] PWSCF计算的态密度和vasp软件计算得到的态密度不一致 (9/2639) museld 2015-12-23 2018-11-16 07:03:46 by peoplemotu
[QE(Pwsc ] [已完结]运行pw2wannier90.x报错 (7/3140) qujinfeng 2015-03-25 2018-11-14 13:03:41 by 霍尾生
[QE(Pwsc ] [已完结]wannier90安装出错 (2/2731) qujinfeng 2015-03-18 2018-11-12 13:31:50 by 霍尾生
[QE(Pwsc ] [已完结]Quantum Espresso dat文件转换出错 (7/3493) Harusame97 2018-11-10 2018-11-10 14:07:29 by Harusame97
[QE(Pwsc ] [已完结][求助] QE里面kpoints.x文件的输入文件怎么写？ (8/4399) liuxinbao 2017-07-20 2018-11-09 16:18:34 by 哒哒虫
[QE(Pwsc ] 计算能带的过程 (8/2479) Hu-k 2018-05-08 2018-10-22 15:26:53 by 漫天飘雪
[QE(Pwsc ] [已完结]UPF赝势版本问题 (3/1772) hit_yu 2016-12-12 2018-10-17 18:51:54 by Anchor晓晓
[QE(Pwsc ] [已完结]请问使用EPW的虫友，在计算epw3.in时参数错误，请帮忙解答 (3/2974) 小莫2016 2018-01-15 2018-10-17 07:28:10 by year@
[QE(Pwsc ] [已完结]计算声子谱时matdyn的问题 (1/1477) Xolento 2018-10-16 2018-10-17 07:23:31 by 漫天飘雪
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