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[热点] 某种做法不行。说过几遍了。同学还那样做。再那样做就给低分 河西夜郎 2024-04-27 刚刚
[QE(Pwsc ] 强关联电子 10 (1/612) 小齐大圣 2019-10-21 2019-10-21 10:34:11 by juirich
[QE(Pwsc ] 模拟计算意义 20 (0/448) weichenk 2019-10-20 2019-10-20 15:04:09 by weichenk
[QE(Pwsc ] lowdin电荷分析文章 50 (0/675) weichenk 2019-10-20 2019-10-20 15:01:00 by weichenk
[QE(Pwsc ] [已完结]Quantum ESPRESSO计算PDOS,怎样后处理 (3/2189) mamixian 2019-10-10 2019-10-16 08:25:08 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)? (3/1474) mamixian 2019-10-09 2019-10-14 06:52:29 by siestafonda
[QE(Pwsc ] 安装 ./configure时报错:configure error :cannot run Fortran compiled programs 15 (2/1310) mamixian 2019-09-29 2019-09-30 15:19:26 by 泡泡媛
[QE(Pwsc ] ph.x 报错 15 (0/1652) MS_DIN 2019-09-28 2019-09-28 10:55:24 by MS_DIN
[QE(Pwsc ] LDA+U计算 (0/858) Susieqing 2019-09-26 2019-09-26 10:29:48 by Susieqing
[QE(Pwsc ] 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 100 (0/849) lxf小默 2019-09-24 2019-09-24 11:40:05 by lxf小默
[QE(Pwsc ] error while loading shared libraries:libfftw3.so.3: 25 (1/1444) mamixian 2019-09-05 2019-09-07 05:32:36 by 卡开发发
[QE(Pwsc ] 声子谱问题 50 (7/1280) yuekeng221 2019-08-02 2019-08-12 21:05:09 by iamikaruk
[QE(Pwsc ] 请教QE的一些问题 10 (2/703) lastzealot 2019-08-03 2019-08-03 17:08:25 by lastzealot
[QE(Pwsc ] scf 不报错,结构收敛.但是文件不能用xcrysden打开 50 (1/585) hxj117 2019-06-22 2019-07-22 08:18:15 by neshque
[QE(Pwsc ] 请问无掺杂的费米能级一定在禁带中心吗? 15 (1/1061) mamixian 2019-05-26 2019-06-19 11:58:15 by 眼外的我
[QE(Pwsc ] [已完结]求Quantum ESPRESSO软件exampel例子 (2/1309) mamixian 2019-06-16 2019-06-17 11:11:23 by mamixian
[QE(Pwsc ] 计算声子谱出错,困扰很久了,求各位前辈帮忙 10 (2/3473) liu_zheng_t 2018-12-06 2019-06-06 17:00:12 by ws19931017
[QE(Pwsc ] 求问siesta中mulliken的问题 (9/940) 流浪者之辉 2019-05-22 2019-05-30 02:11:08 by zhiyongwang
[QE(Pwsc ] 请问用Quantum ESPRESSO做磁矩计算,应该在scf中添加什么参数呢? 20 (0/940) mamixian 2019-05-22 2019-05-22 10:56:16 by mamixian
[QE(Pwsc ] EPW code报错 44 (31/1046) heyong0104 2019-05-15 2019-05-21 15:34:52 by 胡小虾
[QE(Pwsc ] cp.x模块中速度如何加 20 (1/413) Master陈超 2019-03-06 2019-05-19 07:26:26 by 1247961260
[QE(Pwsc ] 关于QE优化晶胞常数以及赝势选择的问题 20 (2/1638) 快乐如我 2019-05-12 2019-05-13 17:19:53 by 快乐如我
[QE(Pwsc ] Qutantum ESPRESSO磁矩计算 20 (0/553) mamixian 2019-05-04 2019-05-04 11:09:50 by mamixian
[QE(Pwsc ] QE epsilon.x 总是报错无法读xml 50 (2/577) anla_123456 2019-04-18 2019-04-28 14:28:07 by yujia1983
[QE(Pwsc ] 计算bandstructure 的时候显示:too many bands are not converged 30 (2/1984) mamixian 2019-04-20 2019-04-21 10:38:58 by mamixian
[QE(Pwsc ] github中的kpoints.f90怎样生成kpoints.x 50 (2/661) kongtuobu 2019-03-27 2019-03-27 15:17:56 by kongtuobu
[QE(Pwsc ] 科恩异常的问题 (3/2188) 我爱学习0108 2019-03-07 2019-03-07 12:41:13 by 漫天飘雪
[QE(Pwsc ] QE(cp.x) 50 (0/571) Master陈超 2019-02-26 2019-02-26 16:55:23 by Master陈超
[QE(Pwsc ] [已完结]QE输出的矩阵元有很多的NaN (5/1594) 边城雪 2019-01-22 2019-01-27 00:37:51 by 边城雪
[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 (2/882) heyong0104 2019-01-16 2019-01-17 13:47:04 by heyong0104
[QE(Pwsc ] QE(cppp.x) (14/1273) Master陈超 2019-01-09 2019-01-09 12:29:20 by yangyunmin
[QE(Pwsc ] QE-CPPP 20 (0/592) 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 (0/1829) heyong0104 2019-01-07 2019-01-07 17:27:27 by heyong0104
[QE(Pwsc ] QE(CPMD) (8/723) Master陈超 2019-01-02 2019-01-02 20:43:31 by Master陈超
[QE(Pwsc ] pwscf中LDA+U加U计算结合gamma点声子 80 (2/1445) 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 (4/3638) heyong0104 2018-12-26 2018-12-27 18:36:55 by heyong0104
[QE(Pwsc ] 关于QE的NEB计算 5 (1/628) edc有凉介 2018-11-15 2018-12-26 19:22:16 by 眼外的我
[QE(Pwsc ] CE法 100 (0/256) suyiluca 2018-12-08 2018-12-08 22:18:30 by suyiluca
[QE(Pwsc ] 赝势判断 赝势确定 收敛性判定 pseudopotential 100 (5/1386) lswzj 2018-11-26 2018-12-01 13:54:48 by mhslee
[QE(Pwsc ] 请问优化晶格参数一般是怎么做的? 100 (4/2623) 眼外的我 2018-09-25 2018-11-21 12:03:09 by 分子模拟新手
[QE(Pwsc ] Quantum Espresso dat文件转换出错 10 (7/2991) Harusame97 2018-11-10 2018-11-10 14:07:29 by Harusame97
[QE(Pwsc ] QE计算pdos遇到问题,求指教! 5 (1/831) Bonnie_Du 2018-11-07 2018-11-07 17:00:47 by 漫天飘雪
[QE(Pwsc ] 计算能带的过程 (8/2056) 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? (2/2374) pxqduichen 2018-06-27 2018-10-20 12:13:03 by yuzhouhenhei
[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 (3/2559) 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 (1/1286) 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 (0/688) xiaoqi8888 2018-10-16 2018-10-16 08:35:17 by xiaoqi8888
[QE(Pwsc ] 怎么求声子分波态密度 (14/811) 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? (8/4522) voleyes 2018-03-16 2018-10-10 05:59:55 by 录过天晴
[QE(Pwsc ] 杂化泛函计算二维材料 20 (1/708) hexin1982 2018-09-27 2018-09-27 21:11:26 by 前田庆次
[QE(Pwsc ] 求助,bands.x 出现错误 10 (0/1531) 长弓逐月 2018-09-26 2018-09-26 16:26:00 by 长弓逐月
[QE(Pwsc ] 对Fe110面优化不收敛    ( 1 2 ) 15 (10/2577) guiwei2018 2018-08-31 2018-09-05 11:32:37 by 张玲海
[QE(Pwsc ] QE计算简并度 (0/379) Marky_Dale 2018-08-31 2018-08-31 23:19:00 by Marky_Dale
[QE(Pwsc ] QE并行计算问题,单核可运行,但多核无法运行 20 (7/6143) 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 (0/408) JAZZZZZ 2018-08-27 2018-08-27 14:46:12 by JAZZZZZ
[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 (10/1236) guiwei2018 2018-07-06 2018-08-18 10:16:24 by DFPT
[QE(Pwsc ] 坐标的转换 5 (2/708) 康师傅厉害 2018-07-29 2018-07-30 10:44:02 by dj20516
[QE(Pwsc ] 关于MAPbI3吸附的一些问题 (3/816) edc有凉介 2018-07-19 2018-07-24 14:29:27 by edc有凉介
[QE(Pwsc ] 如何用Quantum ESPRESSO 计算 bader charge 5 (1/1741) yangjun102 2018-07-04 2018-07-11 16:46:47 by yangjun102
[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 (2/574) han54555 2018-04-26 2018-06-30 07:42:02 by hexin1982
[QE(Pwsc ] 求助一份VNL2015的license 13 (1/710) 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 (0/981) fshadow 2018-06-19 2018-06-19 06:58:53 by fshadow
[QE(Pwsc ] 求助:进行费米面计算到总态密度时出现错误 20 (1/544) 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 (3/1401) 1xiaohua1 2018-06-06 2018-06-06 21:33:58 by lhdd5483
[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 (2/801) qnclqq 2018-05-14 2018-05-15 14:58:03 by qnclqq
[QE(Pwsc ] 求助QE势函数 30 (0/509) 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 (0/505) 让日子发亮 2018-04-30 2018-04-30 12:51:40 by 让日子发亮
[QE(Pwsc ] QE的赝势生成问题 30 (1/711) 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 (1/1121) voleyes 2018-04-19 2018-04-24 03:07:28 by voleyes
[QE(Pwsc ] 缺陷体系结构优化求助 (0/374) cysghert 2018-04-19 2018-04-19 20:29:01 by cysghert
[QE(Pwsc ] [已完结]怎么画那种标高对称点的能带图啊 (5/1452) voleyes 2018-04-11 2018-04-13 12:20:01 by 前田庆次
[QE(Pwsc ] 求大神指点,QE安装之后无法运行example的问题 20 (0/551) 哇咔咔贪吃蛇 2018-04-04 2018-04-04 17:29:12 by 哇咔咔贪吃蛇
[QE(Pwsc ] [已完结][关贴]怎样计算方解石的拉曼谱 (6/863) zmyu0 2018-03-11 2018-03-17 23:07:39 by zmyu0
[QE(Pwsc ] 使用qe通过pwcond.x做计算的内存泄露问题 5 (1/963) 录过天晴 2018-02-02 2018-02-04 11:20:46 by souledge
[QE(Pwsc ] [专家] 【初步测试】Windows下的64位并行版 pw.x 5.4.0 (3/1525) souledge 2018-01-17 2018-02-01 21:00:49 by liuxinbao
[QE(Pwsc ] Quantum ESPRESSO计算bands 5 (2/1499) yangjun102 2018-01-14 2018-01-29 16:42:46 by 漫天飘雪
[QE(Pwsc ] 求助QE力常数分析 30 (5/1720) 爱亚的猩猩 2018-01-22 2018-01-23 18:19:43 by tsglss
[QE(Pwsc ] 求大神,帮忙看下画出来的能带图为什么在M点总存在间隙 10 (3/780) han54555 2018-01-11 2018-01-11 21:27:14 by 漫天飘雪
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