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[热点] 自荐读博 qin1234 2026-01-02 刚刚
[QE(Pwsc ] [已完结]pwscf收敛速度，参数调节与赝势    ( 1 2 ) (19/4413) c_chi 2014-05-29 2016-06-13 18:37:02 by applezju
[QE(Pwsc ] [已完结]pwscf 自洽计算，电子步难收敛的问题    ( 1 2 ) (12/4942) chinagoodnes 2014-06-09 2016-06-13 18:35:16 by applezju
[QE(Pwsc ] [已完结]qe计算差分电荷密度 (1/1398) dengwan1993 2016-05-15 2016-06-10 14:46:29 by XIHA女王1990
[QE(Pwsc ] Virtual NanoLab作为QuantumEspresso和FHI-aim程序的图形操作界面的视频教程    ( 1 2 ) (12/4993) valenhou001 2016-05-05 2016-06-08 23:22:17 by applezju
[QE(Pwsc ] [已完结]shell脚本问题 (7/2315) 新丰客 2016-05-08 2016-05-23 14:01:26 by 新丰客
[QE(Pwsc ] pwscf的band structure计算例子问题 (8/2008) lorna639 2016-03-03 2016-05-21 08:23:31 by 无名_303
[QE(Pwsc ] [已完结]利用pwscf如何计算双层MoS2掺杂后Fe的局域磁矩？ (0/572) 学员NcwURC 2016-05-17 2016-05-17 15:26:21 by 江蝈蝈
[QE(Pwsc ] qe计算光吸收系数 (2/765) dengwan1993 2016-05-16 2016-05-17 01:02:58 by cat陈1515
[QE(Pwsc ] [已完结]qe中bands.x的输入文件    ( 1 2 ) (10/2508) 新丰客 2016-03-30 2016-05-11 23:10:48 by 新丰客
[QE(Pwsc ] [已完结]fcc格子，执行q2r.x时出错，提示，q not allowed (7/1912) xiaoqiu007 2011-05-01 2016-05-10 07:33:43 by léon_WANG
[QE(Pwsc ] 【求助】******CRASH: from init：error # 1 q not allowed******* (1/660) fzuvivi 2011-02-28 2016-05-10 07:32:43 by léon_WANG
[QE(Pwsc ] [已完结]用espresso计算硫化钨的能带结构，无法有效设置k路径 (0/476) kndtmsl 2016-05-06 2016-05-06 08:48:43 by kndtmsl
[QE(Pwsc ] 请教 QE5.4.0版linux cluster安装过程？ (0/733) 172292350 2016-04-30 2016-04-30 14:32:37 by 172292350
[QE(Pwsc ] [已完结][关贴]300金币求一套pw声子计算和画图资料 (5/1048) qdc19800214 2016-04-26 2016-04-28 08:04:47 by qdc19800214
[QE(Pwsc ] [已完结]TO/LO分裂，本征矢 (0/881) léon_WANG 2016-04-25 2016-04-25 16:19:07 by léon_WANG
[QE(Pwsc ] [已完结]QE计算MgB2的声子谱，声子的软化现象 (7/2759) 菲顶顶 2016-04-16 2016-04-22 10:00:22 by 菲顶顶
[QE(Pwsc ] [已完结]用pwscf将晶胞进行opt-scf-nscf-bands计算后， (2/974) fulingling 2016-04-18 2016-04-19 17:26:45 by fulingling
[QE(Pwsc ] 【求助】结构优化出现的错误 (9/2057) mermaid1128 2010-07-14 2016-04-18 15:37:11 by qdc19800214
[QE(Pwsc ] [已完结]求QE教程 (0/1474) 华以有为 2016-04-13 2016-04-13 11:50:05 by 华以有为
[QE(Pwsc ] [已完结]有没有人做一个详细的QE安装及应用教程啊？初学者折腾了好久，没整明白 (1/2104) jasonjay 2016-04-08 2016-04-11 11:00:27 by 张玲海
[QE(Pwsc ] [已完结]能带图间断高对称k点取值问题 (5/1690) 新丰客 2016-03-31 2016-04-10 23:09:44 by 王瑶
[QE(Pwsc ] PWSCF 具体实例 详细解答各种问题    ( 1 2 3 ) (评阅+5) (23/4960) lu_wei07 2013-03-04 2016-04-10 08:07:29 by 王瑶
[QE(Pwsc ] [已完结]phonon计算LO-TO splitting (0/1947) liam3935 2016-04-08 2016-04-08 06:36:23 by liam3935
[QE(Pwsc ] 【求助】求助pwscf一些参数的物理意义和设定经验 (13/3073) wdlmm1214 2010-12-10 2016-03-31 18:09:58 by 菲顶顶
[QE(Pwsc ] 错误分析 (2/768) 吉光片羽123 2014-09-15 2016-03-27 05:53:42 by 吉光片羽123
[QE(Pwsc ] [已完结]ibrav=0找不到全部对称性    ( 1 2 ) (15/3854) qingeraaa 2014-11-21 2016-03-25 20:43:14 by qingeraaa
[QE(Pwsc ] [已完结][关贴]pwscf计算超导温度Tc时最后一步时出现错误 (1/915) qdc19800214 2016-03-24 2016-03-24 14:25:44 by qdc19800214
[QE(Pwsc ] [已完结][关贴]forrtl: severe (24): end-of-file during read, unit 5, file stdin (1/5385) qdc19800214 2016-03-23 2016-03-24 14:25:21 by qdc19800214
[QE(Pwsc ] pwscf计算化合物光子频率为负值 (0/266) lorna639 2016-03-24 2016-03-24 07:30:05 by lorna639
[QE(Pwsc ] [已完结]pwscf中能带计算k点生成的相关问题 (3/1215) topten-gg 2012-09-10 2016-03-19 20:35:55 by 最爱小马哥
[QE(Pwsc ] 【原创】PWSCF中的nbnd和degauss (11/5288) identation 2010-09-25 2016-03-17 14:14:34 by caoyonghua
[QE(Pwsc ] pwsc计算ELF报错！ (1/366) lorna639 2016-03-05 2016-03-12 07:15:19 by lorna639
[QE(Pwsc ] 【分享】一个有大量PWSCF资料的Blog (34/4619) identation 2010-04-01 2016-03-03 09:38:12 by Ergon
[QE(Pwsc ] [已完结]用pwscf计算吸附能，可以加入温度设定吗？ (0/537) voleyes 2016-02-26 2016-02-26 16:46:50 by voleyes
[QE(Pwsc ] [已完结]为什么我的x2-y2轨道占据跟3z2-r2轨道占据完全一样 (0/748) zqclyyq 2016-02-26 2016-02-26 15:52:45 by zqclyyq
[QE(Pwsc ] 为何找不到espresso中的example？ (7/956) lorna639 2016-01-22 2016-02-13 21:29:31 by 我是飞锅
[QE(Pwsc ] [已完结]Error: Too few bands for required ndiag (3/1422) liam3935 2016-02-10 2016-02-12 21:23:53 by fdd096030079
[QE(Pwsc ] [已完结]Offset！结构优化报错！ (0/1267) newyiding 2016-02-01 2016-02-01 22:04:20 by newyiding
[QE(Pwsc ] QE安装问题 (7/2181) lorna639 2016-01-23 2016-01-27 18:17:36 by wobure
[QE(Pwsc ] [已完结]Diagonalization！ (0/577) newyiding 2016-01-20 2016-01-20 23:51:44 by newyiding
[QE(Pwsc ] [已完结]PWscf设磁性的问题 (0/634) wangpeng5226 2016-01-20 2016-01-20 10:00:37 by wangpeng5226
[QE(Pwsc ] [已完结]有关费米能级的问题 (8/10348) hexin1982 2015-12-28 2016-01-20 08:50:41 by 卡开发发
[QE(Pwsc ] [已完结]结构优化出错求助！ (5/1207) newyiding 2016-01-04 2016-01-19 09:36:22 by wobure
[QE(Pwsc ] [已完结]关于Pwscf 模守恒赝势和超软赝势的混用 (0/872) 18810950811 2016-01-16 2016-01-16 17:06:06 by 18810950811
[QE(Pwsc ] [已完结]求助pwscf安装问题    ( 1 2 ) (13/1365) qdc19800214 2016-01-13 2016-01-15 21:12:06 by Ireson
[QE(Pwsc ] PWSCF计算吸附分子在表面的吸附能时，需不需要做BSSE基组校正？ (0/345) voleyes 2016-01-14 2016-01-14 12:08:03 by voleyes
[QE(Pwsc ] [已完结]变胞计算！结构优化！出错！ (0/1773) newyiding 2016-01-12 2016-01-12 18:38:21 by newyiding
[QE(Pwsc ] [已完结]关于输入文件中K-point的设置问题 (3/1859) 骑英奔腾 2013-01-03 2016-01-09 21:19:07 by gowoaini131
[QE(Pwsc ] [已完结]pwscf中的动力学矩阵的单位 (9/1784) dhc198611 2012-12-22 2016-01-09 18:21:08 by xin0408
[QE(Pwsc ] 利用ph.x计算的时候，出现以下错误，不知道各位大神遇到过没 (0/942) Geniusnhao 2016-01-07 2016-01-07 16:37:18 by Geniusnhao
[QE(Pwsc ] [关贴]QE输入文件如何设置啊 (2/1645) lorna639 2015-12-31 2016-01-04 08:50:33 by damao4361556
[QE(Pwsc ] Pwscf中的参数设置问题 (0/429) 李玥玥 2016-01-03 2016-01-03 17:05:56 by 李玥玥
[QE(Pwsc ] [已完结]计算电声得到lambd.out文件 中出现warning (0/368) Lelims 2016-01-03 2016-01-03 15:55:03 by Lelims
[QE(Pwsc ] [已完结]QE如何输出波函数，既平面波基函数的系数 (2/2308) pklipele 2014-06-03 2015-12-24 06:33:22 by oyxf328
[QE(Pwsc ] [已完结]Pwscf relax能量校正的问题 (2/899) petra201 2015-09-29 2015-12-23 15:36:45 by 李玥玥
[QE(Pwsc ] 【求助】请问收敛测试的标准    ( 1 2 ) (15/4198) identation 2010-08-29 2015-12-23 15:09:45 by 李玥玥
[QE(Pwsc ] [已完结]贋势文件！ (0/295) newyiding 2015-12-19 2015-12-19 15:23:53 by newyiding
[QE(Pwsc ] [已完结]QE带GPU计算的软件安装问题 (5/1465) Ireson 2015-12-16 2015-12-17 23:49:47 by Ireson
[QE(Pwsc ] [已完结]计算能带时的三个问题，求大神指点    ( 1 2 ) (10/2462) MilchR 2015-12-14 2015-12-16 10:19:01 by liqizuiyang
[QE(Pwsc ] [已完结]求助，对于未relax的结构测试ecutwfc时不收敛    ( 1 2 ) (13/3451) frank_zhan 2012-07-01 2015-12-14 14:30:07 by 李玥玥
[QE(Pwsc ] [已完结]极性物质声子计算 (0/609) zmyu0 2015-12-12 2015-12-12 22:26:05 by zmyu0
[QE(Pwsc ] [已完结]哪位老师知道赝势价电子是怎样影响计算的？ (0/383) zqclyyq 2015-12-11 2015-12-11 16:11:00 by zqclyyq
[QE(Pwsc ] [已完结]plumed 连接 QE (1/522) get-it 2015-12-10 2015-12-11 15:19:43 by get-it
[QE(Pwsc ] [已完结]QE速度如何，与VASP相比 (4/2165) 未岸亡灵 2015-11-17 2015-12-10 15:55:44 by pangrui1985
[QE(Pwsc ] 如何从计算模拟的角度去看橄榄石α，β，γ相的变化。 (4/818) lvchaojia 2015-01-11 2015-12-09 20:39:36 by lvchaojia
[QE(Pwsc ] 光，电与晶体的相互作用怎么用第一性原理表示呢？    ( 1 2 ) (59/4359) MilchR 2015-12-02 2015-12-08 07:35:29 by MilchR
[QE(Pwsc ] PWSCF 用什么软件 画 能带图呢？以及pdos的相关问题 (7/2490) damao4361556 2015-04-24 2015-12-03 15:31:20 by zqclyyq
[QE(Pwsc ] [已完结]安装出错！ (0/709) newyiding 2015-11-28 2015-11-28 19:59:08 by newyiding
[QE(Pwsc ] QE+boltztrap计算热电性质，如何考虑自旋极化 (2/1804) museld 2015-11-24 2015-11-26 15:13:15 by museld
[QE(Pwsc ] [已完结]PWscf 安装运行问题    ( 1 2 ) (14/2091) chenjfeng 2015-01-16 2015-11-20 07:49:31 by Geniusnhao
[QE(Pwsc ] [已完结]有关QE(Pwscf） PHonon编译 计算的一些基本问题    ( 1 2 ) (10/3251) chuanghua304 2013-06-24 2015-11-19 11:55:19 by chuanghua304
[QE(Pwsc ] bands_FS.x 20 (4/921) chengcai@ 2015-11-13 2015-11-14 16:03:50 by chengcai@
[QE(Pwsc ] [已完结]PWscf计算homo lumo或者valence conduction band，问题已解决    ( 1 2 ) (14/2877) 贺仪 2011-07-26 2015-11-11 16:41:54 by lesite
[QE(Pwsc ] quantum_espresso 百度贴吧    ( 1 2 ) (10/1237) yyyu200 2015-09-04 2015-11-11 12:29:52 by yyyu200
[QE(Pwsc ] [已完结]初学QE过程遇到的输入文件细节问题... (3/975) 赵奇一 2015-07-30 2015-11-10 04:04:10 by heikuyu
[QE(Pwsc ] [已完结]应力应变计算 (8/1599) MilchR 2015-11-06 2015-11-07 14:38:29 by MilchR
[QE(Pwsc ] [已完结]求Linux系统下的ActiveTcl8.4 (4/1384) Bonnie_Du 2015-09-30 2015-11-06 06:04:29 by heikuyu
[QE(Pwsc ] 帖子 (2/686) dengwan1993 2015-10-27 2015-10-28 11:19:17 by yyyu200
[QE(Pwsc ] Win32下QE测试提示 (0/494) Akadēmía 2015-10-28 2015-10-28 06:47:33 by liuhongbo
[QE(Pwsc ] [已完结]请问QE可以加入气压参数计算吗？如不能还有其他软件能做吗？ (0/264) voleyes 2015-10-27 2015-10-27 11:54:44 by voleyes
[QE(Pwsc ] [已完结]使用xmgr文件画能带出现问题 (3/1367) littleboy123 2015-10-24 2015-10-26 14:25:49 by 刘仕晨
[QE(Pwsc ] [已完结]请教能带的对称性问题 (1/1007) 对马拉二胡 2015-10-05 2015-10-25 21:14:17 by lchchl
[QE(Pwsc ] [已完结]石墨烯纳米带差分电荷密度 (7/2082) hanyanli0475 2013-01-31 2015-10-24 07:08:46 by 18810950811
[QE(Pwsc ] [已完结]QE 安装几个小问题 (7/1425) letianhan 2015-08-20 2015-10-23 15:49:43 by letianhan
[QE(Pwsc ] 学习PWSCF(二)：态密度的计算 (7/3583) HSE06 2013-06-06 2015-10-22 18:01:06 by lxc6680219
[QE(Pwsc ] 有错 (VIP≥65535)(16/80) dengwan1993 2015-10-19 2015-10-22 09:40:09 by lz830617
[QE(Pwsc ] [已完结]注册BerkeleyGW 的时候的一个问题，谁帮回答一些。 (5/1016) chuanghua304 2015-10-19 2015-10-21 10:16:33 by chengcai@
[QE(Pwsc ] [已完结]qe计算 (0/2325) dengwan1993 2015-10-17 2015-10-17 08:54:52 by dengwan1993
[QE(Pwsc ] [已完结]在QE软性下使用wannier90.x和pw2wannier90.x遇到的问题 (6/2690) 赵奇一 2015-10-11 2015-10-16 16:15:53 by dengwan1993
[QE(Pwsc ] [已完结]原子坐标选取 (VIP≥65535)(0/39) dengwan1993 2015-10-15 2015-10-15 23:36:09 by dengwan1993
[QE(Pwsc ] [已完结]第一次运用QE计算貌似出现问题，求解答    ( 1 2 ) (12/3587) 赵奇一 2015-06-13 2015-10-15 20:29:37 by dengwan1993
[QE(Pwsc ] [已完结]PW计算能带时要不要用前一步得到的原子位置 (1/439) 寰宇孤心 2015-10-08 2015-10-15 04:26:44 by fanarsenal
[QE(Pwsc ] quantum espresso计算 (VIP≥65535)(14/127) dengwan1993 2015-10-14 2015-10-14 21:27:13 by scuedu2
[QE(Pwsc ] QE安装出错，求助大神 (6/2292) lvchaojia 2015-01-18 2015-10-10 20:26:44 by xianzhong
[QE(Pwsc ] [已完结]用Pwscf的大神请进 (3/700) petra201 2015-09-30 2015-10-02 14:43:57 by zmyu0
[QE(Pwsc ] [已完结][关贴]求vc-md的例子或教程 (0/499) zmyu0 2015-09-30 2015-09-30 15:08:07 by zmyu0
[QE(Pwsc ] 请问用Pwscf计算带电荷分子的吸附，应该怎么设置 (0/301) voleyes 2015-09-30 2015-09-30 11:35:11 by voleyes
[QE(Pwsc ] [已完结]掺杂时赝势按照百分比组合怎么处理啊 (2/458) mika 2015-09-25 2015-09-27 11:00:03 by mika
[QE(Pwsc ] [已完结]一个研究体系和服务器配置的问题 (2/651) 赵奇一 2015-09-23 2015-09-23 22:52:29 by 赵奇一
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