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    [热点] 275求调剂 小lllljk? 2024-03-29 刚刚
    [QE(Pwsc ] 对pw.x计算的一些问题,望解答! 35 (2/339) 月亮市集 2024-01-26 2024-02-03 15:01:26 by 月亮市集
    [QE(Pwsc ] 关于yambo计算的赝势 9 (15/2122) currynar 2020-01-02 2024-02-01 13:35:14 by 卡开发发
    [QE(Pwsc ] PYXAID软件的安装。 100 (2/3507) maoxinxina 2018-07-11 2023-12-02 08:13:24 by ?想读书
    [QE(Pwsc ] QE(pwscf) 计算范德华力需要的文件vdW_kernel_table (4/1723) 漫天飘雪 2018-07-12 2023-11-20 08:27:25 by guodonglin
    [QE(Pwsc ] 新手求模拟,计算介电常数 5 (3/1225) 威武霸气a 2018-09-27 2023-10-30 11:56:30 by Gonor~G
    [QE(Pwsc ] [已完结]关于超导温度计算 (1/413) _kongjun 2023-10-07 2023-10-08 00:11:55 by dxcharlary
    [QE(Pwsc ] pw2wannier90.x: symbol lookup error 10 (0/220) yh0903 2023-09-13 2023-09-13 21:48:14 by yh0903
    [QE(Pwsc ] 在计算ph.x时出错 10 (0/200) 843954108 2023-09-11 2023-09-11 09:13:01 by 843954108
    [QE(Pwsc ] 用electron_phonon = 'epa'运行ph.x,报错了请问怎么解决谢谢 10 (1/354) 烟雨WZS 2023-05-23 2023-08-14 22:02:51 by dxcharlary
    [QE(Pwsc ] 求CsPbCl3的cif文件~ 8 (27/662) 夏沫有约 2022-08-04 2023-07-12 13:18:08 by gy729626
    [QE(Pwsc ] [专家] Quantum-ESPRESSO, 5.4.0, 并行,64-bit,Windows版 (47/12978) souledge 2018-01-31 2023-05-27 19:26:41 by unvs5541
    [QE(Pwsc ] 以平面波为基组的第一性原理计算软件,使用的是以投影缀加平面波方法构造的赝势 (1/348) EMw7426agp 2023-05-12 2023-05-16 17:35:12 by 皮卡丘丢了
    [QE(Pwsc ] QE操作 10 (0/160) duang1233 2023-04-20 2023-04-20 21:17:05 by duang1233
    [QE(Pwsc ] matdyn.x运行报错 50 (1/446) _kongjun 2023-02-26 2023-02-27 08:55:18 by 漫天飘雪
    [QE(Pwsc ] 求助perturbo官网的perturbo-examples-light下载 50 (1/411) zhanglliang1 2022-02-13 2023-02-16 05:57:45 by lshok
    [QE(Pwsc ] QE添加范德瓦尔兹力计算原子受力结果为NaN, 求教应该怎么办 5 (3/482) 秋日以往 2022-09-14 2022-11-28 12:32:49 by 秋日以往
    [QE(Pwsc ] qe7.0-phonon-example19-postahc.coarse.in-efermi 10 (2/370) granular258 2022-10-27 2022-11-08 11:16:52 by granular258
    [QE(Pwsc ] 缺陷形成能的计算    ( 1 2 ) 20 (12/2405) 夏沫有约 2020-07-17 2022-08-26 08:23:41 by jackwangee
    [QE(Pwsc ] 第一性原理,求代算 10 (2/388) asdfasdfg 2022-08-06 2022-08-10 10:52:49 by asdfasdfg
    [QE(Pwsc ] CsLu3F10.cif原胞文件求助 12 (34/643) 夏沫有约 2022-07-20 2022-08-01 19:53:55 by innerpeace12
    [QE(Pwsc ] QE官网又红又专? (1/383) kczhang 2022-07-31 2022-07-31 19:22:48 by beefly
    [QE(Pwsc ] 水吸附单层氮化碳与单层氮化碳DOS图几乎一致 (4/452) 会好运的 2022-07-15 2022-07-17 21:10:58 by 会好运的
    [QE(Pwsc ] Delta-SCF计算不能自洽收敛,请高手指点。 20 (0/262) huai 2022-07-17 2022-07-17 11:05:44 by huai
    [QE(Pwsc ] 自洽计算报错:S matrix not positive definite 5 (1/635) 会好运的 2022-06-19 2022-06-21 10:28:48 by 会好运的
    [QE(Pwsc ] HSE计算提示 wrong number of G-vectors 5 (1/982) liwei4361556 2020-03-25 2022-06-13 06:41:54 by 小轩365
    [QE(Pwsc ] 自洽计算报错Error in routine fft_type_set (6): 5 (1/1216) 会好运的 2022-05-23 2022-06-09 12:48:59 by 会好运的
    [QE(Pwsc ] Quantum-Espresso run-tests出现问题 30 (2/489) 1839558 2022-04-06 2022-04-29 14:53:06 by chao开拓
    [QE(Pwsc ] 用人用过KGEC求电导率吗 (0/235) 邪月大魔王 2022-04-13 2022-04-13 20:15:30 by 邪月大魔王
    [QE(Pwsc ] 计算band structure 时候K point tpiba_b 的设定 10 (2/558) jackwangee 2022-03-03 2022-03-05 13:42:35 by jackwangee
    [QE(Pwsc ] 点缺陷的电荷值 5 (0/269) jackwangee 2022-02-21 2022-02-21 12:53:06 by jackwangee
    [QE(Pwsc ] 点缺陷 电荷范围 10 (0/324) jackwangee 2022-02-18 2022-02-18 13:03:07 by jackwangee
    [QE(Pwsc ] 缺陷形成能公式里的Ef 是scf 结果里面的Fermi energy 这一项吗?    ( 1 2 ) 10 (10/957) jackwangee 2022-01-26 2022-01-28 16:29:37 by jackwangee
    [QE(Pwsc ] New in 7.0 version of Quantum ESPRESSO 5 (5/605) 漫天飘雪 2021-12-22 2021-12-22 21:54:29 by nono2009
    [QE(Pwsc ] QE的PWCOND模块K点选取问题 5 (2/575) 竹雨_朝颜 2021-11-27 2021-12-01 14:45:31 by 竹雨_朝颜
    [QE(Pwsc ] [已完结]缺陷形成能公式里的EVBM 如何得到? (4/1415) jackwangee 2021-09-22 2021-10-29 13:01:18 by jackwangee
    [QE(Pwsc ] 请教QE计算时调节自旋轨道耦合强度 5 (1/471) 扶摇金德 2021-10-06 2021-10-23 18:56:21 by 卡开发发
    [QE(Pwsc ] QE-ralex计算耗时过高求助 20 (1/961) 849621108 2020-09-04 2021-09-12 18:35:28 by akakcolin
    [QE(Pwsc ] 批量提交任务程序 (评阅-50) (6/619) weiyidan 2019-12-26 2021-06-21 14:33:45 by laoda79
    [QE(Pwsc ] hybrid XC not allowed in non-scf calculations 求助 10 (5/951) jackwangee 2021-05-01 2021-06-12 22:39:50 by 1464969820
    [QE(Pwsc ] ALN的能带. 发现EF 不等于0 (4/353) jackwangee 2021-05-06 2021-06-12 22:38:39 by 1464969820
    [QE(Pwsc ] 怎么算出 inverse participation ratio (IPR) 5 (1/464) jackwangee 2021-05-30 2021-06-12 22:35:08 by 1464969820
    [QE(Pwsc ] 请教老师们关于EPW计算超导转变温度Tc的问题 10 (4/2462) 竹雨_朝颜 2020-06-10 2021-06-03 10:13:56 by 曹泽霖
    [QE(Pwsc ] ALN的能带. 发现EF 不等于0 5 (4/753) jackwangee 2021-05-06 2021-05-07 13:48:57 by jackwangee
    [QE(Pwsc ] celldm 设置 (23/810) 浅LIL 2020-02-04 2021-04-12 19:23:14 by 紫色雅典娜
    [QE(Pwsc ] 安装q-e-6.6和EPW 5 (17/2589) xhzha 2020-11-10 2021-04-05 20:11:58 by bjdxyxy
    [QE(Pwsc ] 声子计算第一个q点未出现虚频,第二个q点出现较大虚频 50 (3/512) minttttt 2021-04-01 2021-04-01 00:33:42 by minttttt
    [QE(Pwsc ] 价带在费米能级上,请问这个是什么原因? 10 (0/439) 派派派翠克 2021-03-18 2021-03-18 11:14:02 by 派派派翠克
    [QE(Pwsc ] 2D材料声子谱计算在gamma点虚频问题 20 (2/1598) jkdfh 2021-03-04 2021-03-05 11:18:30 by jkdfh
    [QE(Pwsc ] too many bands are not converged 50 (3/2196) hedge80 2021-01-24 2021-02-07 11:28:20 by 漫天飘雪
    [QE(Pwsc ] EPW phonon linewidth inconsistent with QE results 50 (2/3470) zz11ss11zz 2020-07-14 2021-01-30 07:54:07 by Jane_CC
    [QE(Pwsc ] 缺陷能级的产生与缺陷的关系? (20/576) 夏沫有约 2021-01-14 2021-01-21 00:05:38 by waalsfu
    [QE(Pwsc ] 有偿求助软件的安装! 5 (0/577) abinit432 2020-12-24 2020-12-24 20:02:46 by abinit432
    [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 (1/741) 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 (16/824) 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 (1/1501) 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 (2/1710) 夏沫有约 2020-10-28 2020-11-23 21:36:10 by 夏沫有约
    [QE(Pwsc ] 请求帮助在linux安装QE 5 (3/1535) guiwei2018 2018-07-11 2020-11-22 19:39:41 by 紫色雅典娜
    [QE(Pwsc ] GPU版QE和VASP有多耗显存? 15 (0/763) 望辰 2020-11-16 2020-11-16 16:33:09 by 望辰
    [QE(Pwsc ] QE用HSE方法计算缺陷能带求助 30 (1/763) 夏沫有约 2020-11-09 2020-11-09 15:35:13 by 夏沫有约
    [QE(Pwsc ] 二维材料优化,QE需不需要像VASP一样有特殊设置? 10 (5/2411) 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 (19/1303) 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 (5/1635) 夏沫有约 2020-09-21 2020-10-12 09:14:20 by 夏沫有约
    [QE(Pwsc ] pdos画图求助 20 (5/1219) 夏沫有约 2020-07-29 2020-09-21 19:55:53 by 夏沫有约
    [QE(Pwsc ] 分波态密度or能带处理求助 20 (3/1031) 夏沫有约 2020-08-04 2020-09-21 19:53:18 by 夏沫有约
    [QE(Pwsc ] qe安装环境配置 30 (1/671) 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 (1/1632) 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? (1/1721) 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 (4/778) 漫天飘雪 2020-08-06 2020-09-04 07:04:53 by 考拉VS博比
    [QE(Pwsc ] qe6.6运行段错误(174) (0/558) kczhang 2020-08-31 2020-08-31 09:16:41 by kczhang
    [QE(Pwsc ] 求助算hse06能带bands.x时报错“Wrong classes for C_3v”是什么问题 20 (2/2017) svdn 2018-10-30 2020-08-07 09:38:17 by fyuewen
    [QE(Pwsc ] 计算    ( 1 2 ) (13/1643) Qualiazero 2020-08-02 2020-08-04 08:47:37 by Qualiazero
    [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? (1/680) Qualiazero 2020-08-02 2020-08-04 08:46:20 by Qualiazero
    [QE(Pwsc ] QE计算细节请教 (5/1641) 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 (2/1068) 夏沫有约 2020-07-19 2020-07-22 15:18:46 by 夏沫有约
    [QE(Pwsc ] [已完结]怎样计算Lindhard susceptibility and the nesting function (6/1667) zz11ss11zz 2020-02-09 2020-07-16 18:50:51 by zz11ss11zz
    [QE(Pwsc ] EPW在计算电声耦合方面要比QE更准确吗? (8/4646) 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 (0/557) 共氧 2020-06-28 2020-06-28 15:32:47 by 共氧
    [QE(Pwsc ] [已完结]第一次运行Quantum ESPRESSO,出现error while loading shared libraries (9/2003) mamixian 2019-10-15 2020-06-28 10:34:54 by mahh112
    [QE(Pwsc ] 虚拟机上安装xcrysden出错求助 (5/876) 夏沫有约 2020-06-21 2020-06-22 09:38:29 by 夏沫有约
    [QE(Pwsc ] 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 10 (7/1628) 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 (1/814) 小莫2016 2020-06-17 2020-06-17 13:21:38 by 漫天飘雪
    [QE(Pwsc ] 求qe安装教程 5 (5/1095) Jane_CC 2018-09-11 2020-06-10 20:20:28 by 夏沫有约
    [QE(Pwsc ] Quantum Espresso 6.5 3 (8/2501) 漫天飘雪 2019-12-11 2020-05-20 15:04:48 by 漫天飘雪
    [QE(Pwsc ] 求Linear Response 方法算U值的resp_mat.f90脚本或者其他处理one site矩阵的方法 45 (7/1426) 19942013 2020-05-14 2020-05-15 11:19:14 by 19942013
    [QE(Pwsc ] 请教QE能计算toy system吗? (2/458) Qualiazero 2020-04-17 2020-04-21 21:08:50 by dxcharlary
    [QE(Pwsc ] QE输入文件求助(diamond.in ,graphite.in graphene.in) 30 (0/557) 夏沫有约 2020-04-17 2020-04-17 11:27:42 by 夏沫有约
    [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 (4/1339) 竹雨_朝颜 2020-03-11 2020-03-14 10:35:08 by 竹雨_朝颜
    [QE(Pwsc ] 声子谱 振动熵 计算 收敛很慢 q点设置 ph.x 100 (4/1561) lswzj 2020-02-05 2020-03-10 16:54:52 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? (4/1951) 竹雨_朝颜 2020-03-07 2020-03-09 19:04:22 by 竹雨_朝颜
    [QE(Pwsc ] 用QE计算声子谱出错,求大神帮忙,谢谢 5 (2/755) Asdfgghwkw 2019-03-16 2020-03-02 18:48:08 by 竹雨_朝颜
    [QE(Pwsc ] 减少原胞中的原子个数 10 (0/535) 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 (0/1161) currynar 2020-01-16 2020-01-16 11:35:26 by currynar
    [QE(Pwsc ] 如何处理aimd的实验数据 (1/1075) 学点计算 2020-01-08 2020-01-08 19:32:52 by kammury
    [QE(Pwsc ] Quantum Espresso 6.5 (0/1448) 漫天飘雪 2019-12-11 2019-12-11 16:39:18 by 漫天飘雪
    [QE(Pwsc ] qe在redhat系统上安装出错,机子是服务器 60 (1/716) granular258 2019-12-03 2019-12-03 13:13:57 by granular258
    [QE(Pwsc ] 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 5 (2/952) laughinguo 2019-11-26 2019-11-27 07:24:22 by wangsheng7073
    [QE(Pwsc ] DFT计算,DOS和band structure不一致有可能是什么原因,如何修正。 (5/2514) 水月听风 2019-10-31 2019-11-05 08:50:11 by chenweiguang
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