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全部 热点前沿问题讨论 MS Vasp&MedeA Wien2k&FLAPW&ELK Abinit Siesta&Smeagol&Atk QE(Pwscf) 资源 其他 版务
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[热点] 上海工程技术大学张培磊教授团队招收博士生 班主任的同桌 2026-01-03 刚刚
[QE(Pwsc ] 【求助】请指点各个软件的区别 (1/576) byin 2010-06-10 2010-06-10 22:03:13 by 锐利的碎片
[QE(Pwsc ] 【求助】关于mpich并行编译pwscf4.1遇到的问题 (8/1064) chuzhaonan 2009-08-14 2010-06-10 09:50:32 by chuzhaonan
[QE(Pwsc ] [专家] 【求助】考虑温度的情况下，已知结构如何计算应力矩阵呢？ (5/1374) dxcharlary 2010-06-01 2010-06-08 06:03:19 by valenhou001
[QE(Pwsc ] 【求助】dipole correction (1/1436) B.C.Wang 2010-06-06 2010-06-07 11:08:37 by valenhou001
[QE(Pwsc ] 【求助】金币求PWSCF能带和声子色散曲线的数据提取程序及使用说明 (2/405) identation 2010-06-04 2010-06-06 18:54:47 by enola
[QE(Pwsc ] 【求助】Pwscf能计算体系的输运性质吗？    ( 1 2 ) (12/1506) xinqing98 2010-06-03 2010-06-04 08:56:54 by xirainbow
[QE(Pwsc ] 【求助】吸附能结果比较！    ( 1 2 ) (14/1601) B.C.Wang 2010-05-31 2010-06-03 12:49:45 by 魏孟钟灵
[QE(Pwsc ] 【其他】pwscf MD 输入出错拉 (5/469) enola 2010-06-01 2010-06-02 21:28:02 by goldenfisher
[QE(Pwsc ] [专家] 【求助】求人给个vc-md的模版 (4/731) dxcharlary 2010-05-26 2010-05-31 14:19:15 by goldenfisher
[QE(Pwsc ] 【求助】优化出错！    ( 1 2 ) (11/1058) B.C.Wang 2010-05-26 2010-05-29 18:13:01 by goldenfisher
[QE(Pwsc ] 【求助】运行出错！    ( 1 2 ) (10/1470) B.C.Wang 2010-05-26 2010-05-26 19:43:34 by goldenfisher
[QE(Pwsc ] 【求助】优化时部分原子固定 (1/771) B.C.Wang 2010-05-25 2010-05-25 15:29:17 by 子虚乌有5388
[QE(Pwsc ] 【求助】单位换算 (6/902) B.C.Wang 2010-05-25 2010-05-25 13:15:47 by westmonster
[QE(Pwsc ] 【求助】PWSCF如何进行thermal dynamics的计算 (7/990) identation 2010-05-20 2010-05-22 10:00:29 by goldenfisher
[QE(Pwsc ] 【求助】能带振荡 (4/666) 子虚乌有5388 2010-05-17 2010-05-18 15:18:19 by xirainbow
[QE(Pwsc ] 【求助】如何联系材料的微观属性与宏观属性？ (5/824) byin 2010-05-07 2010-05-17 22:20:29 by goldenfisher
[QE(Pwsc ] 【求助】磁滞回线 (2/838) byin 2010-05-17 2010-05-17 22:19:13 by goldenfisher
[QE(Pwsc ] 【求助】Pwscf现在可以算哪些力学性质？ (3/756) ydeng2639 2010-05-15 2010-05-16 08:40:45 by valenhou001
[QE(Pwsc ] 【分享】赝势文件格式 (评阅+3) (1/1625) xirainbow 2010-05-14 2010-05-14 13:56:36 by lfhuang
[QE(Pwsc ] 【分享】Quantum ESPRESSO 4.2rc 发布 (7/1648) chrinide 2010-05-07 2010-05-13 22:49:32 by zzy870720z
[QE(Pwsc ] 【转载】PWscf postdoc opportunity @ ANL (评阅+2) (6/1048) xirainbow 2009-11-19 2010-05-12 23:11:07 by xirainbow
[QE(Pwsc ] 【求助】新手求助 (1/461) mermaid1128 2010-05-10 2010-05-10 22:12:20 by goldenfisher
[QE(Pwsc ] 【求助】Pwscf计算下的fractional coordinate (5/969) 等待的心 2010-03-20 2010-05-07 14:33:58 by valenhou001
[QE(Pwsc ] 【求助】Quantum ESPRESSO 4.1.3 的并行计算设置 (5/1489) byin 2010-05-06 2010-05-07 09:40:09 by byin
[QE(Pwsc ] 【求助】pwscf计算中出现的问题 (2/717) zhl2967 2010-05-06 2010-05-07 08:40:31 by goldenfisher
[QE(Pwsc ] 【求助】单斜结构的对称性 (0/999) zhl2967 2010-05-06 2010-05-06 20:52:35 by zhl2967
[QE(Pwsc ] 【求助】请教nelup和neldw怎么设定呢？ (1/257) identation 2010-03-31 2010-05-06 19:13:07 by valenhou001
[QE(Pwsc ] 【求助】布里渊区形状及特殊k点 (5/1396) zhl2967 2010-03-12 2010-05-06 19:00:57 by valenhou001
[QE(Pwsc ] 【分享】The Name of ESPRESSO (2/870) xirainbow 2010-05-05 2010-05-06 18:58:25 by valenhou001
[QE(Pwsc ] 【讨论】可否用超软赝势计算红外光谱    ( 1 2 ) (11/1695) identation 2010-05-01 2010-05-06 10:51:41 by xirainbow
[QE(Pwsc ] 【求助】pwscf LDAU and lspinorb (3/920) ads5ads5 2010-05-02 2010-05-04 10:04:53 by goldenfisher
[QE(Pwsc ] 【求助】请教projwfc输出文件的意义 (4/1182) identation 2010-05-01 2010-05-04 10:04:09 by goldenfisher
[QE(Pwsc ] 【求助】单斜结构的对称性 (2/897) zhl2967 2010-04-30 2010-05-01 22:07:25 by enola
[QE(Pwsc ] 【求助】为什么计算出的PDOS自旋向上态存在负值？ (9/1605) identation 2010-04-28 2010-04-29 18:16:40 by goldenfisher
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