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[热点] 上海工程技术大学【激光智能制造】课题组招收硕士 班主任的同桌 2026-01-02 刚刚
[QE(Pwsc ] PWSCF 提示 problems computing cholesky    ( 1 2 ) (13/3721) Dirac12345 2015-05-07 2015-09-20 20:25:59 by 赵奇一
[QE(Pwsc ] [已完结]求解基态能量时的结合能 (0/476) pauline0820 2015-09-16 2015-09-16 17:09:32 by pauline0820
[QE(Pwsc ] [已完结][关贴]QE5.2.0make出错    ( 1 2 ) (11/1484) MilchR 2015-09-05 2015-09-08 11:30:54 by MilchR
[QE(Pwsc ] PWscf(QE)的结构优化问题 (8/3926) justinzhouke 2015-08-27 2015-09-08 07:15:39 by yyyu200
[QE(Pwsc ] [已完结]初次接触QE，有关建模的问题想请教各位前辈 (2/610) C_X_L 2015-07-06 2015-09-07 07:15:08 by corrupt_jedi
[QE(Pwsc ] [已完结]如何用QE计算晶格能？ (2/436) 冷风中 2015-08-25 2015-09-03 11:52:15 by justinzhouke
[QE(Pwsc ] [已完结]pwscf计算能带后，做能带图的具体操作 (6/3008) 535792686 2015-08-28 2015-09-02 13:48:36 by justinzhouke
[QE(Pwsc ] 【原创】写了个集群下应用测试K点或截断能的脚本 (18/3792) zhang668 2010-10-24 2015-09-02 13:37:34 by 微6凉
[QE(Pwsc ] 请问 PWSCF 如何 使用 scissor 剪刀算符 (0/581) damao4361556 2015-08-20 2015-08-20 10:06:05 by damao4361556
[QE(Pwsc ] [已完结]如何构筑表面带电体系模型 (0/480) lesite 2015-08-04 2015-08-04 17:01:12 by lesite
[QE(Pwsc ] [已完结]QE的一个例子不是太理解，求解释 (0/1091) 赵奇一 2015-07-30 2015-07-30 16:02:44 by 赵奇一
[QE(Pwsc ] [已完结]请教如何用PHONOPY软件获得 Debye温度。 (1/1803) amynliou 2014-12-30 2015-07-30 11:49:26 by 司伟静
[QE(Pwsc ] [已完结]加入“nspin、 starting_magnetization”关键词后scf过程不收敛，求解释 (2/1545) 赵奇一 2015-07-28 2015-07-29 16:04:16 by 赵奇一
[QE(Pwsc ] [已完结]求ActiveTcl8.4版本 (0/253) xiaoboy185 2015-07-24 2015-07-24 10:42:33 by xiaoboy185
[QE(Pwsc ] [已完结]MS和QE对模型计算结果的比较产生的疑问 (6/1058) 赵奇一 2015-07-20 2015-07-24 09:02:17 by ccmin4
[QE(Pwsc ] 本人一生所遇到最重大問題~~~Big problem that I never find it before!!!!!    ( 1 2 ) (14/1798) taipoboy 2015-07-20 2015-07-21 16:03:15 by warmheart
[QE(Pwsc ] [已完结]如何确定不同物质的VBM的相对位置 (5/1064) daofengwalan 2015-07-20 2015-07-21 14:24:37 by KalaShayminS
[QE(Pwsc ] [已完结]修改K点后，计算nscf过程报错，求解答 (4/1929) 赵奇一 2015-07-19 2015-07-20 01:48:44 by 赵奇一
[QE(Pwsc ] [已完结]通过QE和MS关于Si能带图的比较 (3/1425) C_X_L 2015-07-15 2015-07-19 09:17:23 by C_X_L
[QE(Pwsc ] [已完结]关于QE计算结果的疑问    ( 1 2 ) (17/2318) 赵奇一 2015-07-15 2015-07-18 16:39:15 by KalaShayminS
[QE(Pwsc ] 熱電材料 Zn4Sb3 (重大問題) (2/498) taipoboy 2015-07-15 2015-07-16 18:47:24 by rex881026
[QE(Pwsc ] [已完结]通过声子振动频率（LO与TO）来求static dielectric constant (0/834) wzjk 2015-07-16 2015-07-16 16:55:33 by wzjk
[QE(Pwsc ] [已完结]通过QE计算单层MoS2的DOS和PDOS输出结果的问题 (8/2027) C_X_L 2015-07-14 2015-07-15 21:30:35 by C_X_L
[QE(Pwsc ] [已完结]有关服务器配置的问题    ( 1 2 ) (10/1322) 赵奇一 2015-06-01 2015-07-15 17:12:02 by 明天再看看
[QE(Pwsc ] 求國內同胞幫幫港澳兄弟解決Quantum Espresso 的運行問題 (6/1579) taipoboy 2015-07-11 2015-07-15 16:35:10 by taipoboy
[QE(Pwsc ] [已完结]关于绘制DOS、PDOS图的问题 (7/3071) C_X_L 2015-07-13 2015-07-15 04:21:24 by awdawdawdd
[QE(Pwsc ] [已完结]QE计算应力应变关系的问题 (3/1057) wzjk 2015-07-07 2015-07-13 10:33:01 by KalaShayminS
[QE(Pwsc ] [已完结]求助一份用QE计算声子色散的实例 (1/1195) s226818355 2015-07-10 2015-07-10 13:53:16 by y1ding
[QE(Pwsc ] [已完结][关贴]模仿他人求结构nscf时出错，求解答 (3/1072) 赵奇一 2015-07-09 2015-07-09 20:01:26 by KalaShayminS
[QE(Pwsc ] [已完结]QE新手编辑的输入文件在运行中报错，希望能给予解答，谢谢... (6/3061) 赵奇一 2015-07-09 2015-07-09 18:35:18 by 赵奇一
[QE(Pwsc ] [已完结]求一份QE的中文说明书 (1/902) s226818355 2015-07-09 2015-07-09 17:44:49 by KalaShayminS
[QE(Pwsc ] [已完结]有关QE输入文件关键词的几个问题请求解答 (4/882) 赵奇一 2015-07-08 2015-07-09 13:06:08 by 赵奇一
[QE(Pwsc ] [已完结]异常退出原因 (1/319) 冷风中 2015-07-09 2015-07-09 09:35:36 by 冷风中
[QE(Pwsc ] PWSCF 计算电荷密度差分 提示 input conversion error (0/917) damao4361556 2015-07-03 2015-07-03 14:36:09 by damao4361556
[QE(Pwsc ] 【求助】请问这个图是红外光谱呢还是声子态密度呢？谢谢    ( 1 2 ) (12/2127) identation 2010-04-25 2015-07-02 11:14:14 by 409600750
[QE(Pwsc ] [已完结]pwscf计算能带中bands计算出现问题 (1/1168) 吉光片羽123 2015-06-25 2015-06-25 20:51:27 by 吉光片羽123
[QE(Pwsc ] [已完结]一些初级问题望大神们赐教 (5/577) 4443223 2015-06-18 2015-06-18 23:39:49 by 4443223
[QE(Pwsc ] [已完结][关贴]AlN输入文件求助。 (0/339) wzjk 2015-06-16 2015-06-16 16:44:15 by wzjk
[QE(Pwsc ] [已完结]最新版QE安装过程中出现的问题，跪求解答    ( 1 2 3 ) (21/1990) 赵奇一 2015-06-11 2015-06-13 10:53:15 by KalaShayminS
[QE(Pwsc ] [已完结]计算动力学矩阵遇到的收敛问题 (1/1044) forum_user 2015-06-11 2015-06-11 13:37:15 by forum_user
[QE(Pwsc ] [已完结]初次接触QE，有许多问题跪求大神解决...    ( 1 2 ) (10/1432) 赵奇一 2015-06-03 2015-06-08 11:08:10 by xxxxxxxfc
[QE(Pwsc ] [已完结]请教PW运行问题 (0/314) imunbg 2015-06-07 2015-06-07 09:36:08 by imunbg
[QE(Pwsc ] [已完结]pwscf可以计算的宏观力学参数有哪些？ (7/584) 4443223 2015-05-21 2015-06-06 02:11:20 by 4443223
[QE(Pwsc ] [已完结]windows下运行QE求指导    ( 1 2 3 ) (26/2911) 不明觉厉 2015-05-29 2015-06-04 21:28:30 by 赵奇一
[QE(Pwsc ] [已完结]quantum espresso求助 (3/1457) iamihanfei 2015-05-30 2015-05-31 11:10:07 by KalaShayminS
[QE(Pwsc ] [已完结]问个有关xcrysden的问题，用xcrysden选取特殊点进行espresso的band structure计算 (3/1147) waveflying 2015-05-04 2015-05-18 10:58:49 by KalaShayminS
[QE(Pwsc ] pwscf error----end of file reading atomic positions (2/1265) Dirac12345 2015-05-11 2015-05-12 00:37:21 by Dirac12345
[QE(Pwsc ] QE SOC 设置问题 (3/2350) damao4361556 2015-04-24 2015-05-09 11:18:58 by pangrui1985
[QE(Pwsc ] QE plotband.x 计算错误 (2/4537) damao4361556 2015-05-01 2015-05-07 01:48:04 by 子虚乌有5388
[QE(Pwsc ] QE 算能带时 K点怎么产生 (8/3396) damao4361556 2015-04-28 2015-05-05 14:15:27 by justinzhouke
[QE(Pwsc ] PWSCF 算完能带 和 dos 后的数据 如何转换成origin 能打开的 格式？ (2/1295) damao4361556 2015-05-01 2015-05-04 06:13:03 by damao4361556
[QE(Pwsc ] [已完结]新手求助Quantum-Espresso 读取input文件失败 (4/2829) liuliuhot 2015-04-29 2015-04-30 08:12:38 by fzx2008
[QE(Pwsc ] [已完结]5.0.2版PWSCF电声耦合常数的计算过程解读 (2/3694) xiaoqiu007 2013-09-18 2015-04-29 06:00:21 by nishihao
[QE(Pwsc ] [已完结]请教QE高手：如何计算Fermi surface nesting？ (6/1956) lsdwrk 2013-07-06 2015-04-28 07:33:17 by shaolin1120
[QE(Pwsc ] [已完结]不同方法计算得到Gamma点声子不宜致 (1/1101) 111hzs 2015-03-19 2015-04-20 15:13:53 by hezhu
[QE(Pwsc ] QE nscf 计算错误 (2/1259) Dirac12345 2015-04-08 2015-04-19 21:11:45 by souledge
[QE(Pwsc ] PWSCF 如何判断 以收敛 (2/1195) Dirac12345 2015-04-15 2015-04-16 08:28:16 by dongbaojuan
[QE(Pwsc ] 【求助】求助PW结构优化遇到的问题 (5/1597) xueht987 2011-03-03 2015-04-15 06:06:11 by damao4361556
[QE(Pwsc ] [已完结]QE中pw.x计算的K点和截断能的选取对计算结果的影响。 (6/2326) Ireson 2014-04-19 2015-04-14 18:31:43 by Ireson
[QE(Pwsc ] [已完结]请教关于pwscf施加电场的方向问题 (3/1497) phd-xu 2014-11-21 2015-04-11 17:09:11 by 甲斐之虎
[QE(Pwsc ] [已完结]QE赝势 (1/915) qujinfeng 2015-04-10 2015-04-10 16:06:27 by KalaShayminS
[QE(Pwsc ] PWSCF赝势混用问题 (9/2150) 阿猫158 2012-10-19 2015-04-10 15:43:47 by qujinfeng
[QE(Pwsc ] [已完结]新手利用pwscf 优化 ZnO的晶格常数老是出问题， 求助！ (9/2385) huangdan9604 2012-07-16 2015-04-07 06:39:04 by superyoyo
[QE(Pwsc ] [已完结]求助ZnO掺杂优化晶格常数~ (0/477) superyoyo 2015-04-05 2015-04-05 11:32:56 by superyoyo
[QE(Pwsc ] [已完结]请问Surface Strain如何计算 (0/468) dai_shen844 2015-04-03 2015-04-03 11:36:09 by dai_shen844
[QE(Pwsc ] [已完结][求助]PWscf安装    ( 1 2 ) (1ST强帖+1)(11/3991) zdwkymy 2011-05-13 2015-04-01 09:24:06 by hhli
[QE(Pwsc ] [已完结]如何理解PWSCF中的正交化原子轨道？ (3/1075) pangrui1985 2015-03-23 2015-03-24 01:15:52 by 卡开发发
[QE(Pwsc ] [已完结]做scf运算时遇到的问题 (2/1101) 骑英奔腾 2013-10-08 2015-03-23 06:26:55 by xiangzhe123
[QE(Pwsc ] [已完结]求助pwscf里面的参数设置的D是个什么单位？ (1/699) qujinfeng 2015-03-21 2015-03-21 23:04:43 by pangrui1985
[QE(Pwsc ] QE 计算MD 计算提示read_namelist 错误 (1/1154) Dirac12345 2015-03-20 2015-03-20 14:11:10 by liqizuiyang
[QE(Pwsc ] [已完结][关贴]PWscf能否计算金属材料的拉曼？ (1/390) zal7891 2015-03-14 2015-03-18 11:47:03 by zal7891
[QE(Pwsc ] [已完结]为什么pwscf单节点8核运行比1个核还要慢? (7/1950) vallen 2013-02-26 2015-03-11 16:10:50 by lesite
[QE(Pwsc ] [已完结]求助Pwscf安装包中的例子 (0/329) dai_shen844 2015-03-10 2015-03-10 22:27:38 by dai_shen844
[QE(Pwsc ] PWSCF计算声子的时候 无法用LDA+U 进行吗？ (5/1000) du33lang 2015-03-07 2015-03-07 11:47:32 by KalaShayminS
[QE(Pwsc ] PWSCF计算铁电相的极化值 (1/723) wangqj1 2015-03-03 2015-03-03 15:23:39 by xiaochong8693
[QE(Pwsc ] [已完结]安装pwscf时配置显示成功但是make all时显示出错，求助大神帮忙…… (3/820) dahuzi01 2015-01-24 2015-02-28 20:37:47 by liyincumt
[QE(Pwsc ] [已完结]PWscf 4.3自洽计算默认不输出力吗？ (5/825) zal7891 2015-01-14 2015-01-17 20:33:34 by njuedu007
[QE(Pwsc ] 【求助】用PWSCF中的LDA+U做反铁磁绝缘体系的弛豫计算    ( 1 2 3 ) (23/2935) dhc198611 2010-05-13 2015-01-15 08:41:50 by zqclyyq
[QE(Pwsc ] QE-PWscf计算声子谱流程。 (10/4870) amynliou 2013-03-21 2015-01-14 10:23:38 by rx93hughes
[QE(Pwsc ] [专家] [已完结]用PBE0得到的二氧化钛带隙过大……    ( 1 2 ) (10/3021) souledge 2013-06-29 2015-01-08 13:05:46 by 茶味果冻
[QE(Pwsc ] [已完结]请问晶格振动模式分析 (2/714) amynliou 2014-05-05 2015-01-04 16:22:17 by 593287382
[QE(Pwsc ] [已完结]qe的手册到底该看哪个 (3/2214) yongma2008 2015-01-01 2015-01-04 09:35:12 by yongma2008
[QE(Pwsc ] [已完结]请教qe优化问题 (1/1497) yongma2008 2015-01-02 2015-01-03 11:18:25 by liqizuiyang
[QE(Pwsc ] 【求助】path_thr设置 (2/419) 等待的心 2011-02-25 2014-12-26 17:46:32 by 骑英奔腾
[QE(Pwsc ] [已完结]ld1.x(aromic)构造Mo的赝势求助！请虫友帮助！！ (3/1136) 40961001 2014-12-23 2014-12-25 14:55:16 by KalaShayminS
[QE(Pwsc ] [已完结]新人求助！！PostProc中的DOS.x Plotband.x可以独立编译并使用么 (3/712) NEGF_ZK 2014-12-22 2014-12-24 01:35:53 by KalaShayminS
[QE(Pwsc ] [已完结]有關於 ev.x (2/444) d98222003 2014-12-09 2014-12-10 17:01:27 by liqizuiyang
[QE(Pwsc ] [已完结]NiO磁性计算，opt输出文件中怎么分析这些信息 Magnetic moment per site: (0/902) nantian112 2014-12-04 2014-12-04 07:20:17 by nantian112
[QE(Pwsc ] [已完结]菜鸟求助pwscf输运计算 (7/1718) junfeiyan 2014-02-20 2014-11-29 14:21:52 by valenhou001
[QE(Pwsc ] 请问做relax和vc-relax calculation相对于scf，需要添加哪些cards？ (1/1270) zhaoyue_ucla 2014-11-24 2014-11-25 17:29:41 by boya_tech
[QE(Pwsc ] [已完结]QE 5.1 版本 能帶計算出錯 (0/376) d98222003 2014-11-21 2014-11-21 17:36:55 by d98222003
[QE(Pwsc ] ibrav = 0 时 celldm(1)的取值，望高手解惑 (1/2516) Dirac12345 2014-11-20 2014-11-20 13:45:24 by liqizuiyang
[QE(Pwsc ] 【求助】PWSCF计算介电极化时为何出现如下提示？    ( 1 2 ) (19/1977) identation 2010-06-17 2014-11-18 12:34:33 by 111hzs
[QE(Pwsc ] [已完结]"starting and expected charges differ"有虫友碰到过这个错误吗？ (8/2490) liqizuiyang 2014-11-07 2014-11-18 09:50:05 by liqizuiyang
[QE(Pwsc ] pwscf中求一个程序可以得出任意结构的原子位置？ (0/343) fangzide 2014-11-14 2014-11-14 10:31:38 by fangzide
[QE(Pwsc ] pwscf中的能带计算能够直接给出带隙吗？ (0/624) voleyes 2014-11-10 2014-11-10 17:09:23 by voleyes
[QE(Pwsc ] 【求助】求详细的PWscf并行编译过程（越详细越好，包括各种环境和参数的设置，及软件� (29/4556) 暖秋 2010-12-04 2014-11-09 14:48:48 by 卡开发发
[QE(Pwsc ] [已完结]qe 5.1 安裝出錯問題 (0/1068) d98222003 2014-11-07 2014-11-07 13:38:57 by d98222003
[QE(Pwsc ] [已完结]pwscf做半导体晶胞结构优化 (0/1784) 茶味果冻 2014-11-05 2014-11-05 11:20:43 by 茶味果冻
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