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[热点] 材料325求调剂 mariusuki 2026-03-03 刚刚
[QE(Pwsc ] 怎么在matdyn.modes 文件中提取本征矢量?为什么XYZ有六列 20 (1/1465) 小莫2016 2020-06-17 2020-06-17 13:21:38 by 漫天飘雪
[QE(Pwsc ] 请教QE能计算toy system吗? (2/779) Qualiazero 2020-04-17 2020-04-21 21:08:50 by dxcharlary
[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 (4/1761) 竹雨_朝颜 2020-03-11 2020-03-14 10:35:08 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? (4/2673) 竹雨_朝颜 2020-03-07 2020-03-09 19:04:22 by 竹雨_朝颜
[QE(Pwsc ] [已完结]减少原胞中的原子个数 (0/844) 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 (0/1764) currynar 2020-01-16 2020-01-16 11:35:26 by currynar
[QE(Pwsc ] [已完结]qe在redhat系统上安装出错,机子是服务器 (1/1008) granular258 2019-12-03 2019-12-03 13:13:57 by granular258
[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 (2/1427) laughinguo 2019-11-26 2019-11-27 07:24:22 by wangsheng7073
[QE(Pwsc ] [已完结]强关联电子 (1/833) 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 (0/631) weichenk 2019-10-20 2019-10-20 15:04:09 by weichenk
[QE(Pwsc ] [已完结]lowdin电荷分析文章 (0/935) 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 (3/2886) 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)? (3/2210) 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 (2/1628) mamixian 2019-09-29 2019-09-30 15:19:26 by 泡泡媛
[QE(Pwsc ] [已完结]ph.x 报错 (0/1942) 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 (0/1111) lxf小默 2019-09-24 2019-09-24 11:40:05 by lxf小默
[QE(Pwsc ] [已完结]声子谱问题 (7/1702) yuekeng221 2019-08-02 2019-08-12 21:05:09 by iamikaruk
[QE(Pwsc ] 请教QE的一些问题 (2/964) 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 (1/816) hxj117 2019-06-22 2019-07-22 08:18:15 by neshque
[QE(Pwsc ] [已完结]求Quantum ESPRESSO软件exampel例子 (2/1716) mamixian 2019-06-16 2019-06-17 11:11:23 by mamixian
[QE(Pwsc ] 求问siesta中mulliken的问题 (9/1268) 流浪者之辉 2019-05-22 2019-05-30 02:11:08 by zhiyongwang
[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? (0/1204) 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 (1/661) 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 (2/2255) 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 (0/825) 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 (2/850) 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 (2/2418) mamixian 2019-04-20 2019-04-21 10:38:58 by mamixian
[QE(Pwsc ] 科恩异常的问题 (3/2555) 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) (0/1307) 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 (5/2320) 边城雪 2019-01-22 2019-01-27 00:37:51 by 边城雪
[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 (2/1108) heyong0104 2019-01-16 2019-01-17 13:47:04 by heyong0104
[QE(Pwsc ] [已完结]QE-CPPP (0/746) 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 (0/2131) heyong0104 2019-01-07 2019-01-07 17:27:27 by heyong0104
[QE(Pwsc ] QE(CPMD) (8/947) Master陈超 2019-01-02 2019-01-02 20:43:31 by Master陈超
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