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[热点] 中科院杭州医学所招收博士生一名（生物分析化学、药物递送） yifeij2022 2026-01-02 刚刚
[QE(Pwsc ] [已完结]qe中用vc-relax进行结构优化出现下面错误 (0/873) xiaoqi8888 2018-10-16 2018-10-16 08:35:17 by xiaoqi8888
[QE(Pwsc ] [已完结]刚开始接触QE，在计算vc-relax时，关于运行结果有太多问题 (1/5352) yhl1023 2017-02-24 2018-10-16 06:11:29 by xiaoqi8888
[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？ (8/5129) voleyes 2018-03-16 2018-10-10 05:59:55 by 录过天晴
[QE(Pwsc ] yambo安装 没有报错 运行其自带例子时 报错 求助 (3/1655) meyhf 2012-10-14 2018-09-30 12:50:25 by 眼外的我
[QE(Pwsc ] [已完结]杂化泛函计算二维材料 (1/902) hexin1982 2018-09-27 2018-09-27 21:11:26 by 前田庆次
[QE(Pwsc ] [已完结]求助 xcrysden-1.5.21 版本 (2/826) kobe6777 2016-03-29 2018-09-27 11:33:30 by 雨后是伤
[QE(Pwsc ] [专家] [已完结]声子色散谱的分析    ( 1 2 ) (1ST强帖+1)(16/7944) souledge 2011-09-14 2018-09-23 14:57:44 by ms初学
[QE(Pwsc ] [已完结]求助quantum-espresso使用问题！ (5/2396) wdaobin 2014-05-10 2018-09-18 14:29:18 by 素月英盈心
[QE(Pwsc ] [已完结]请教一个关于QE计算电声耦合常数K点及q点密度选取的问题 (3/2221) conperint 2016-05-20 2018-09-13 13:11:39 by 漩涡笔记boy
[QE(Pwsc ] [专家] 【求助】pwscf能计算材料的一些宏观性质吗？ (9/1610) dxcharlary 2010-04-01 2018-09-09 19:52:15 by goldenfisher
[QE(Pwsc ] QE计算简并度 (0/562) Marky_Dale 2018-08-31 2018-08-31 23:19:00 by Marky_Dale
[QE(Pwsc ] [已完结]QE并行计算问题，单核可运行，但多核无法运行 (7/6826) 小莫2016 2018-06-01 2018-08-27 16:37:45 by wujiandongde
[QE(Pwsc ] [已完结]如何计算一个格子里某些特定点上的电荷密度并且输出？ (0/635) JAZZZZZ 2018-08-27 2018-08-27 14:46:12 by JAZZZZZ
[QE(Pwsc ] [已完结]pwscf画能带图求助 (6/2023) cj4566 2012-08-19 2018-08-27 11:37:30 by wujiandongde
[QE(Pwsc ] [已完结]pwscf 计算拉曼结果 (1/1227) 蜜糖苏琦 2015-01-19 2018-08-14 13:56:13 by psysunm
[QE(Pwsc ] [已完结]键态和反键态 (7/3216) dengwan1993 2016-10-24 2018-08-13 12:46:33 by 啊辉辉
[QE(Pwsc ] [已完结]坐标的转换 (2/842) 康师傅厉害 2018-07-29 2018-07-30 10:44:02 by dj20516
[QE(Pwsc ] 用QE做自洽计算，为什么K点去太密时收敛不了？ (2/1040) greylight 2014-05-27 2018-07-29 18:37:03 by 漫天飘雪
[QE(Pwsc ] [已完结]如何用Quantum ESPRESSO 计算 bader charge (1/1952) yangjun102 2018-07-04 2018-07-11 16:46:47 by yangjun102
[QE(Pwsc ] [已完结]求助：Rocks 6.1集群搭建不能跨节点并行 (评阅+5) (5/1666) 沐心精灵 2015-03-01 2018-07-07 16:15:59 by 狻猊-狴犴
[QE(Pwsc ] [已完结]请问，NEB计算中初始结构与最终结构的cell parameter可以不同吗？ (2/681) han54555 2018-04-26 2018-06-30 07:42:02 by hexin1982
[QE(Pwsc ] [已完结]求助一份VNL2015的license (1/840) guiwei2018 2018-06-21 2018-06-21 13:51:32 by 未岸亡灵
[QE(Pwsc ] [已完结]QE计算的DFT-PBE的能量差异多少能说明有能量差？ (0/1165) fshadow 2018-06-19 2018-06-19 06:58:53 by fshadow
[QE(Pwsc ] [已完结]求大神帮忙看neb代码是否正确 (1/911) xyj890825 2017-10-11 2018-06-14 14:25:14 by huichaol
[QE(Pwsc ] [已完结]求助：进行费米面计算到总态密度时出现错误 (1/705) sbingyi 2018-06-07 2018-06-08 15:58:45 by sbingyi
[QE(Pwsc ] [已完结]各位大神，安装wannier90后 ，如何接到 QE 上？ (3/1591) 1xiaohua1 2018-06-06 2018-06-06 21:33:58 by lhdd5483
[QE(Pwsc ] [已完结]计算实空间的local dos (3/824) 杨康000 2016-07-17 2018-05-29 08:29:59 by gengw07
[QE(Pwsc ] [已完结]请教Quantum Espresso 画ELF（电子局域函数）图像为什么出现这样的错误？ (6/2572) caoyonghua 2016-11-01 2018-05-22 06:29:14 by qnclqq
[QE(Pwsc ] [已完结]请问我的new CRYSTAL-95/98/03/06 input怎么是灰色的，无法新建文件呢？ (6/1894) jianying212 2011-12-20 2018-05-21 16:35:12 by 晋晋高高
[QE(Pwsc ] [已完结]能带计算 (2/704) 求知守一 2017-12-19 2018-05-16 13:37:15 by 拥抱海岛
[QE(Pwsc ] [已完结]计算费米面时遇到的问题    ( 1 2 3 ) (26/3644) wilsun7 2012-06-27 2018-05-15 17:26:47 by AryaLu
[QE(Pwsc ] [已完结]【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？ (2/990) qnclqq 2018-05-14 2018-05-15 14:58:03 by qnclqq
[QE(Pwsc ] [已完结]pwscf-5.0得到的声子谱很乱是怎么回事？ (8/2628) weiyongkai 2013-05-08 2018-05-06 13:33:21 by AryaLu
[QE(Pwsc ] [已完结]求助QE势函数 (0/635) Amoy789654 2018-05-02 2018-05-02 23:47:09 by Amoy789654
[QE(Pwsc ] [已完结]求有关qe电声耦合原理的文章 (0/598) 让日子发亮 2018-04-30 2018-04-30 12:51:40 by 让日子发亮
[QE(Pwsc ] [已完结]QE的赝势生成问题 (1/951) 不明觉厉 2018-04-25 2018-04-25 20:03:10 by 漫天飘雪
[QE(Pwsc ] [已完结]QE进行scf计算时，k点的设置需要加offset吗？ (1/1372) voleyes 2018-04-19 2018-04-24 03:07:28 by voleyes
[QE(Pwsc ] 缺陷体系结构优化求助 (0/477) cysghert 2018-04-19 2018-04-19 20:29:01 by cysghert
[QE(Pwsc ] [已完结]pwscf输出文件报错，原子坐标被忽略 (3/1182) 茶味果冻 2014-10-14 2018-04-17 06:17:12 by 眼外的我
[QE(Pwsc ] [已完结]怎么画那种标高对称点的能带图啊 (5/1760) voleyes 2018-04-11 2018-04-13 12:20:01 by 前田庆次
[QE(Pwsc ] [已完结]硅烯声子谱G点附近虚频    ( 1 2 3 ) (29/5816) 坏逊平儿 2016-08-02 2018-04-09 19:21:50 by tao325
[QE(Pwsc ] [已完结]你们怎么处理Gamma的虚频的？ (4/2613) Local_Spin 2014-03-21 2018-04-09 08:53:25 by tsglss
[QE(Pwsc ] [已完结]新手求助pwscf的进行磁性运算和LDA+U运算    ( 1 2 3 4 ) (35/4031) 刘仕晨 2013-03-20 2018-04-01 06:05:33 by 迷迷物理
[QE(Pwsc ] [已完结]Quantum ESPRESSO编译和运行 (6/3382) yangjun102 2017-08-29 2018-03-28 06:18:47 by souledge
[QE(Pwsc ] [已完结]pw5.4.0 计算电声耦合，出现 Wrong classes for C_3v (6/3953) qdc19800214 2016-11-11 2018-03-21 11:44:53 by qdc19800214
[QE(Pwsc ] [已完结][关贴]怎样计算方解石的拉曼谱 (6/1115) zmyu0 2018-03-11 2018-03-17 23:07:39 by zmyu0
[QE(Pwsc ] 【求助】pwscf计算ZnO声子时找不到对称性 (7/2173) 改王之王 2010-12-02 2018-03-14 11:26:47 by since—2010
[QE(Pwsc ] [已完结]LZ小白一枚，最近刚开始使用QE，求大神指点使用啊 (3/1246) since—2010 2017-03-22 2018-03-13 16:26:52 by LaTale
[QE(Pwsc ] 【分享】计算得到的声子谱，按频率大小分类vs.按对称性分类。 (9/2888) lfhuang 2011-03-17 2018-02-01 18:34:07 by liuxinbao
[QE(Pwsc ] [已完结]pwscf计算超导转变温度    ( 1 2 ) (12/6231) zhenzidan 2015-01-13 2018-02-01 18:25:42 by liuxinbao
[QE(Pwsc ] [已完结]声子计算中路径设置的一些问题 (3/826) 小莫2016 2017-07-13 2018-02-01 18:20:45 by liuxinbao
[QE(Pwsc ] gamma点声子虚频 (6/3302) justinzhouke 2015-09-02 2018-02-01 18:14:49 by liuxinbao
[QE(Pwsc ] [已完结]Quantum ESPRESSO计算bands (2/1645) yangjun102 2018-01-14 2018-01-29 16:42:46 by 漫天飘雪
[QE(Pwsc ] [已完结]用qe的gipaw模块算电子顺磁共振的g-tensor (1/1044) 1327744130 2017-07-01 2018-01-28 08:56:05 by lichaof
[QE(Pwsc ] 【求助】酬谢20金币紧急求助pwscf中用ld1.x生成K赝势    ( 1 2 ) (11/2109) 雁儿霏霏 2010-02-21 2018-01-18 09:43:08 by museld
[QE(Pwsc ] 【原创】ecutwfc and ecutrho (19/3726) xirainbow 2009-07-16 2018-01-09 08:29:26 by 吕小强强
[QE(Pwsc ] [已完结]关于QE求解模型的两个问题，希望大神解答 (2/497) 赵奇一 2015-07-24 2018-01-08 14:16:57 by 吕小强强
[QE(Pwsc ] 在rel赝势下的声子谱计算产生矩阵文件*.dyn1时出现*.dyn1.xml文件    ( 1 2 3 4 ) (39/5745) 吉光片羽123 2016-03-24 2018-01-02 11:28:12 by eric8568
[QE(Pwsc ] 请问pwscf中计算NEB的时候初态和末态的晶格常数可以不一样吗？ (0/766) museld 2017-12-29 2017-12-29 15:03:04 by museld
[QE(Pwsc ] [已完结]考虑SOC，计算PDOS出现错误，求助 (3/1806) c_henl_ei 2014-03-28 2017-12-28 15:34:00 by wode147
[QE(Pwsc ] 怎样用高斯函数展宽Δ函数并求出Δ函数的值 (0/591) BeautyLc 2017-12-25 2017-12-25 21:38:27 by BeautyLc
[QE(Pwsc ] [已完结]非自洽计算中断报错 (7/1939) cj4566 2012-08-10 2017-12-22 06:29:11 by lxc6680219
[QE(Pwsc ] [已完结]QE加SOC nosym=true，之后运行失败，但没有错误信息 (0/1576) ringinmay 2017-12-21 2017-12-21 00:44:41 by ringinmay
[QE(Pwsc ] [已完结]Quantum ESPRESSO优化结构的时候如何固定某些原子 (2/1836) yangjun102 2017-12-19 2017-12-19 21:09:47 by yangjun102
[QE(Pwsc ] [已完结]双层石墨烯能带问题 (4/1103) 苏苏苏1994 2017-09-19 2017-12-11 09:21:08 by 扶桑大宗师
[QE(Pwsc ] [已完结]晶格常数 (6/1422) 求知守一 2017-12-01 2017-12-03 10:47:42 by 求知守一
[QE(Pwsc ] [已完结]QE计算求助 (0/1312) 扶桑大宗师 2017-11-28 2017-11-28 21:20:14 by 扶桑大宗师
[QE(Pwsc ] [已完结]vc计算 (2/748) 求知守一 2017-11-26 2017-11-27 15:47:19 by 求知守一
[QE(Pwsc ] PWSCF pp.x计算自旋计划计算的 轨道电荷密度？ (0/587) liwei4361556 2017-11-17 2017-11-17 17:10:49 by liwei4361556
[QE(Pwsc ] [已完结]xcrysden在cygwin运行失败 (4/936) yangjun102 2017-09-05 2017-11-14 14:07:29 by 鱼儿123
[QE(Pwsc ] [已完结][关贴]帮忙看下这个input文件问题在哪 (0/648) powest 2017-11-04 2017-11-04 08:46:00 by powest
[QE(Pwsc ] [已完结]计算单层材料的能带的时候，晶格常数c的设置 (2/715) 墨清尘 2017-11-02 2017-11-03 15:04:53 by 前田庆次
[QE(Pwsc ] [已完结]pwscf计算能带的k点设置的问题 (0/766) 墨清尘 2017-11-03 2017-11-03 00:44:04 by 墨清尘
[QE(Pwsc ] [已完结]LDA+U时，选择U时，遇到的问题？？ (3/818) hanyanli0475 2012-06-13 2017-10-31 20:36:55 by 浴雪飘零_
[QE(Pwsc ] raman结果的意思 (1/464) 风雨965 2017-10-23 2017-10-23 20:08:16 by 风雨965
[QE(Pwsc ] [已完结]pwscf电声耦合不收敛 (5/1024) 学员2avytj 2017-10-11 2017-10-15 10:54:23 by winnie27
[QE(Pwsc ] [已完结]vc-relax优化结构时提示错误，并且出现CRASH文件 (3/2790) yangjun102 2017-10-03 2017-10-04 09:25:18 by yangjun102
[QE(Pwsc ] quantum espresso (pwscf) 贴吧    ( 1 2 3 4 5 ) (232/6250) yyyu200 2016-05-24 2017-10-02 16:12:21 by 叶耀坤kun
[QE(Pwsc ] [已完结]QE(Pwscf)计算电声耦合求助 (2/1236) sulisha_agrh 2016-04-26 2017-09-24 12:29:03 by 漫天飘雪
[QE(Pwsc ] [已完结]YAMBO程序转换pwscf计算结果 (4/1084) lits19 2017-09-15 2017-09-20 09:46:26 by liqizuiyang
[QE(Pwsc ] [已完结]quantum espresso 的band.x计算 (7/3924) JSL-chang 2016-06-02 2017-09-19 18:45:01 by liuxinbao
[QE(Pwsc ] [已完结]安装Quantum ESPRESSO 6.1版本时出现问题    ( 1 2 ) (13/3330) zhaijianhui 2017-08-22 2017-09-09 21:16:52 by 小虫虫LG
[QE(Pwsc ] [已完结]quantum espresso 中k点输入 (1/1272) pauline0820 2017-08-27 2017-08-28 23:55:17 by sinomonster
[QE(Pwsc ] [已完结]k点想设置为6x6x1,如何写input文件中的k-point部分？ (2/814) pauline0820 2017-08-26 2017-08-26 23:32:13 by pauline0820
[QE(Pwsc ] [已完结]quantum espresso 运行出现问题。 (5/4124) 杨寻 2014-12-06 2017-08-02 07:08:07 by SUN WONG
[QE(Pwsc ] [已完结]关于石墨烯高对称点 (3/3279) justinzhouke 2015-04-16 2017-07-18 14:33:36 by 无比小菜鸟
[QE(Pwsc ] [已完结]求助 (0/446) 扶桑大宗师 2017-07-09 2017-07-09 20:51:14 by 扶桑大宗师
[QE(Pwsc ] Qe有没有windows下可视化结构的软件哪 (1/1674) 小韧1 2017-07-02 2017-07-02 11:30:22 by 漫天飘雪
[QE(Pwsc ] [已完结]如何选择赝势？ (2/2607) SnailSky_66 2016-10-21 2017-06-28 11:22:54 by SUN WONG
[QE(Pwsc ] [已完结]QE计算relax，怎样迅速得到计算后的原子位置？ (8/2299) 小白flame 2016-11-01 2017-06-28 11:14:45 by SUN WONG
[QE(Pwsc ] [已完结]使用QE（PWscf）的ph.x模块进行声子的计算时，计算速度特别慢请问有什么解决办法吗？ (5/1625) 少年兔 2017-06-26 2017-06-26 20:19:26 by museld
[QE(Pwsc ] [已完结]使用QE计算半导体的价带和导带位置？ (5/2235) cloverliang 2017-06-14 2017-06-22 17:02:24 by cloverliang
[QE(Pwsc ] 有人用过xspectra么。 (0/620) lomgi 2017-06-15 2017-06-15 20:14:34 by lomgi
[QE(Pwsc ] [已完结]vc-relax优化计算 (0/1939) 日尔曼骑士 2017-06-13 2017-06-13 15:09:05 by 日尔曼骑士
[QE(Pwsc ] [已完结][关贴]pwascf,QE安装，（集群）天河 (5/1549) NickyHCQ 2017-06-10 2017-06-12 11:03:44 by NickyHCQ
[QE(Pwsc ] [已完结]求助各位老师同学，我在运行pw之后出现如图问题 (1/525) yzk24680 2017-05-09 2017-06-10 23:51:46 by 风雨965
[QE(Pwsc ] [已完结]请问使用Quantum espresso 算 HSE 能带 (5/3230) cloverliang 2017-04-07 2017-05-26 17:38:31 by tsglss
[QE(Pwsc ] [已完结]QE计算超导温度lambda (0/2097) sulisha_agrh 2017-05-15 2017-05-15 10:39:00 by sulisha_agrh
[QE(Pwsc ] [已完结]有人用过QE中HSE算能带的啊？ (2/1364) cloverliang 2017-05-12 2017-05-12 17:35:26 by 漫天飘雪
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