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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] Materials Today Chemistry审稿周期 影66 2026-01-19 刚刚
[Abinit] 杂化泛函 HSE06 计算时间 (0/2865) guoshukuan 2012-03-17 2012-03-17 14:32:07 by guoshukuan
[Abinit] [已完结]k点和q点的关系 (1/1016) cast510 2012-03-12 2012-03-14 11:03:33 by cast510
[Abinit] [已完结]电光张量中的TO模是怎么分的？ (0/443) pariah 2012-03-12 2012-03-12 16:06:54 by pariah
[Abinit] 【求助】Abinit中计算PDOS时怎样确定投影原子半径？ (4/1257) lzl8181 2010-09-12 2012-03-09 11:23:50 by 80150081
[Abinit] dynamical matrix问题 (4/899) lufly89 2011-12-09 2012-03-07 07:10:46 by cast510
[Abinit] 【求助】abinit 6.6.1 make 时出错 (5/1222) tjuZidan 2011-03-23 2012-02-26 15:08:23 by souledge
[Abinit] [已完结]求文献一篇，如下 (评阅-10) (2/477) k_now 2012-02-16 2012-02-19 20:03:22 by k_now
[Abinit] vasp 弛豫 运算中止 (4/1476) guoshukuan 2012-02-15 2012-02-18 07:51:45 by guoshukuan
[Abinit] DFT计算中止 (4/1283) guoshukuan 2012-02-11 2012-02-14 08:46:26 by guoshukuan
[Abinit] 呼唤输出文件总结 (2/393) cast510 2012-02-06 2012-02-08 00:25:51 by youzhizhe
[Abinit] 自洽计算 (1/861) cast510 2012-01-31 2012-02-03 12:45:28 by mrd-81
[Abinit] [专家] [已完结]如何在Abinit中固定特定原子的优化方向？ (1/610) souledge 2012-01-26 2012-02-03 12:34:01 by souledge
[Abinit] The electronic Density-Of-States (1/422) cast510 2012-01-31 2012-01-31 16:29:18 by souledge
[Abinit] 任务设置 (3/430) cast510 2012-01-26 2012-01-27 10:07:00 by souledge
[Abinit] [已完结]cygwin系统之下安装abinite不知什么原因出错了？ (6/1768) 返求诸己 2012-01-08 2012-01-20 19:48:48 by souledge
[Abinit] [已完结]弹性系数的计算 (0/505) hisap-nano 2012-01-11 2012-01-11 09:03:42 by hisap-nano
[Abinit] [已完结]请推荐关于abinit方面的书籍或是学习资料 (4/1269) 月下冰魂 2012-01-04 2012-01-08 22:36:05 by identation
[Abinit] mpi 启动节点 错误 (2/438) guoshukuan 2012-01-05 2012-01-06 10:01:37 by souledge
[Abinit] [已完结]Abinit 能用modified Becke johnson potential 计算带隙吗？ (2/476) liddrr 2011-12-31 2012-01-01 10:51:19 by 锐利的碎片
[Abinit] [已完结]【求助与交流】abinit计算激发态问题若干，每个问题奖励5个以上BB，欢迎讨论 (2/499) 贺仪 2011-12-29 2011-12-31 15:40:53 by WDD880227
[Abinit] 【求助】abinit -6.6.1 安装出错 (7/1313) wenj674 2011-03-20 2011-12-30 11:02:27 by identation
[Abinit] [已完结]HSE计算总能过程 (2/534) guoshukuan 2011-12-29 2011-12-29 21:57:40 by liliangfang
[Abinit] 请教弹性常数的意义 (6/2238) Local_Spin 2011-11-11 2011-12-28 09:11:20 by hisap-nano
[Abinit] abinit编译错误 (3/1361) cast510 2011-12-25 2011-12-26 16:48:23 by lbbz323
[Abinit] 如何用abinit画差分电荷密度 (3/947) zpfcmt 2011-11-04 2011-12-23 20:01:22 by mailoliver
[Abinit] [已完结]为什么计算的金属结合能和固体物理书上的数据差了一个eV？！ (3/1095) hisap-nano 2011-12-15 2011-12-23 15:54:07 by guitar2033
[Abinit] [已完结]AbinitBandStructureMaker.py不能运行 (2/665) ridge8888 2011-06-12 2011-12-21 17:37:03 by pariah
[Abinit] 计算磁性时需要设spinat，这个参数如何设置？ (3/1081) whyyzf5725 2011-04-18 2011-12-20 21:11:20 by fzx2008
[Abinit] abinit计算晶体生成焓的问题讨论 (7/2396) dd5818 2011-12-17 2011-12-19 11:32:06 by dd5818
[Abinit] 为什么算能带时老是出错！ (4/1256) hisap-nano 2011-12-17 2011-12-18 12:20:28 by hisap-nano
[Abinit] [已完结]求一份完整的编译abinit的资源贴 (1/1900) pariah 2011-12-06 2011-12-17 18:49:22 by pariah
[Abinit] 今天看到Abinit 6.10.3 版本啦！ (评阅+2) (2/605) lindlar0078 2011-12-13 2011-12-14 17:03:54 by souledge
[Abinit] [已完结]求助在abinit的主页上 下载LDA赝势(fhi 的) (0/665) yjwyjwyjw 2011-12-14 2011-12-14 14:36:41 by yjwyjwyjw
[Abinit] [已完结]求助abinit软件，我想学习学习，谢谢各位！ (1/475) yjwyjwyjw 2011-07-23 2011-12-14 14:31:07 by yjwyjwyjw
[Abinit] [已完结]怎样用ABINIT计算获得金属的功函数 (2/487) hisap-nano 2011-12-13 2011-12-14 01:19:39 by stractor
[Abinit] [已完结]求助linux屏幕输出保存WARNING的命令 (2/493) pariah 2011-12-10 2011-12-11 18:40:26 by pariah
[Abinit] [已完结]关于用ABINIT进行结构优化的疑问 (2/558) hisap-nano 2011-12-02 2011-12-06 17:20:44 by lufly89
[Abinit] [已完结]Abinit的GW修正 (2/632) 魏孟钟灵 2011-09-27 2011-12-05 19:30:31 by 费瑞翔
[Abinit] 【分享】借助MS建立abinit结构文件 (37/8931) zxzj05 2009-04-28 2011-12-05 11:08:13 by liu_gang
[Abinit] 够快的，ABINIT又出新版6.10.2 (评阅+2) (9/1281) lindlar0078 2011-11-18 2011-12-04 19:35:49 by fzx2008
[Abinit] [已完结]abinit-6.8.2安装出错，求解决方法。 (3/1204) caqhero 2011-11-29 2011-11-30 12:52:44 by fzx2008
[Abinit] [已完结]请教各位大侠 abinit 中磁矩的设置 （谢谢） (1/363) mrd-81 2011-11-13 2011-11-27 12:50:14 by mrd-81
[Abinit] abinit 在window下如何得到能带图 (3/758) jiaxh 2011-07-23 2011-11-18 14:13:17 by moueor
[Abinit] abinit 计算 graphene能带结构 (2/887) wjnk-2011 2011-11-03 2011-11-18 12:06:08 by mailoliver
[Abinit] [已完结]求助abinit计算电光系数 (7/1439) mazuju028 2011-10-21 2011-11-17 17:54:45 by pariah
[Abinit] [已完结]Abinit在KGB并行的时候对NSCF计算的问题 (0/466) goldenfisher 2011-11-16 2011-11-16 20:43:58 by goldenfisher
[Abinit] 闲着无聊大家讨论下做计算的机器吧 (8/1219) pariah 2011-11-14 2011-11-16 12:38:54 by pariah
[Abinit] [已完结]那种软件能调整原子的位置？ (5/991) hzkvictory 2011-08-05 2011-11-14 11:10:38 by moueor
[Abinit] abinit主页怎么上不去啊？谢谢各位，还有其他办法吗？ (9/880) yjwyjwyjw 2011-10-14 2011-11-12 15:15:55 by pariah
[Abinit] ABINIT又出新版6.10.1！！！    ( 1 2 ) (评阅+2) (13/2267) fzx2008 2011-10-28 2011-11-11 10:50:14 by wenxuan5788
[Abinit] [已完结]关于icsd中Z参数和natom的关系 (1ST强帖+1)(4/1055) pariah 2011-11-07 2011-11-08 23:40:11 by windowtt
[Abinit] 关于abinit开启 gpu 的测试一例 (评阅+1) (4/933) vv_china 2011-10-31 2011-11-05 11:06:16 by mrd-81
[Abinit] [已完结]怎样安装ABINIT windows版本 (2/1133) 月下冰魂 2011-11-03 2011-11-04 09:14:09 by fzx2008
[Abinit] abinit服务器脚本 (1/432) lufly89 2011-10-31 2011-11-01 08:32:28 by wenjlu
[Abinit] [关贴]关于abinit开启 gpu 的测试一例 (1/716) vv_china 2011-10-31 2011-10-31 13:14:56 by vv_china
[Abinit] [已完结]计算停了 (7/858) lufly89 2011-10-23 2011-10-30 19:30:34 by pariah
[Abinit] [已完结]abinit 计算 又出问题啦（anaddb）~~~ (3/785) 大果子2010 2011-10-21 2011-10-30 19:19:28 by pariah
[Abinit] abinit的势能 (1/529) zjuer 2011-07-30 2011-10-28 09:44:03 by hisap-nano
[Abinit] [已完结]用LDA赝势优化出来的晶格常数一定比实验值小吗？谢谢！    ( 1 2 ) (10/3605) yjwyjwyjw 2011-10-20 2011-10-23 09:24:22 by fzx2008
[Abinit] [已完结]谁有已编译好的ABINIT，给我传下 (4/652) lufly89 2011-10-18 2011-10-18 15:19:46 by lufly89
[Abinit] [已完结]求助abinit中的晶体构建 (3/1377) pariah 2011-10-17 2011-10-18 14:27:29 by pariah
[Abinit] [已完结]如何用pathscale + openmpi 编译Abinit？ (7/1226) vv_china 2011-08-30 2011-10-10 01:13:32 by vv_china
[Abinit] [已完结]使用WinSCP,为什么上传文件时会出现如下的错误？ (0/6733) 20081130071 2011-10-08 2011-10-08 09:51:14 by 20081130071
[Abinit] 【求助】GW计算错误 (6/1268) meimeinn 2010-04-28 2011-09-27 16:00:28 by 魏孟钟灵
[Abinit] 最新版ABINIT 6.6.3 出来啦，支持Windows 7 64位 (8/2099) lindlar0078 2011-06-16 2011-09-26 20:05:32 by nwpu2010
[Abinit] 【求助】abinit除了能用GW对G点进行能带修正以外还能不能对其他高对称点的帶隙进行修� (8/1401) zxling 2010-05-06 2011-09-21 16:17:02 by 魏孟钟灵
[Abinit] [已完结]abinit结构优化的结果怎么转化成cif文件？ (3/869) mazuju028 2011-09-16 2011-09-20 09:24:25 by wenjlu
[Abinit] [已完结]partial charge (1/495) utdwang 2011-09-17 2011-09-17 09:43:22 by iamikaruk
[Abinit] [已完结]ABINIT服务器配置 (7/931) lufly89 2011-08-11 2011-09-15 10:31:44 by 贺仪
[Abinit] [已完结]关于ABINIT中DFPT计算的尺度问题 (0/434) 学员UKbkc5 2011-09-09 2011-09-09 14:31:07 by xijinyang
[Abinit] 分享一篇文章 MIT G. Ceder Thermodynamics of LixTiO2 from first principles (3/610) wienelxy001 2011-08-14 2011-08-21 18:07:56 by glcaihong
[Abinit] Abinit的GPU加速 (评阅+2) (5/1026) zjuer 2011-07-01 2011-08-20 14:38:34 by vv_china
[Abinit] [已完结]计算N2键长问题 (0/884) gechaoyi 2011-08-15 2011-08-15 16:40:41 by gechaoyi
[Abinit] 静态static与t=0，p=0 (0/234) yy08 2011-08-09 2011-08-09 15:24:48 by yy08
[Abinit] abinit6.2.3的安装运行 (6/1299) jiaxh 2011-07-21 2011-07-21 19:40:23 by jiaxh
[Abinit] [已完结]用ABINIT计算弹性常数出现以下问题？ (3/640) yy08 2011-07-20 2011-07-20 19:43:33 by yy08
[Abinit] [已完结]光学计算参数tons设置的问题？ (0/415) jinbiandou 2011-07-19 2011-07-19 12:08:01 by jinbiandou
[Abinit] Abinit 新旧版计算结果差别多大可以认为正常，没有安装错误之类的问题。 (4/1513) lei0819 2011-07-05 2011-07-18 07:53:47 by lei0819
[Abinit] [已完结]100金币求助abinit计算PDOS时ratsph参数设置所需的编辑文件 (3/820) jinbiandou 2011-06-22 2011-07-16 20:37:24 by lzl8181
[Abinit] [已完结]【求助成功】abinit-6.6.3（83M版）如何进行并行计算？？ (4/1034) jinbiandou 2011-07-15 2011-07-16 08:33:28 by quantumfang
[Abinit] abinit 的安装 (6/1672) jiaxh 2011-07-12 2011-07-14 17:29:34 by sarchiel
[Abinit] [已完结]kptopt, ngkpt, nshiftk shiftk kptrlatt 这几个参数怎么设置 (2/996) gechaoyi 2011-07-11 2011-07-12 22:13:32 by zjuer
[Abinit] abinit 可以调用 ETSF 交换关联 函数，但 又要求赝势和 ixc 匹配，怎么办？ (5/951) mrd-81 2011-07-06 2011-07-11 09:07:10 by mrd-81
[Abinit] [求助]linux 版本Abinit 安装问题 (2/952) lei0819 2011-05-17 2011-07-05 20:46:26 by souledge
[Abinit] [已完结]如何从ABINIT网站上赝势提取赝势信息？ (评阅+1) (5/1067) whyyzf5725 2011-06-28 2011-07-01 13:12:06 by iamikaruk
[Abinit] [已完结]有没有人用abinit算晶胞红外吸收光谱的？    ( 1 2 ) (11/1264) shuo2008 2011-06-12 2011-06-19 21:47:32 by shuo2008
[Abinit] 关于能带画图问题。 (8/1622) ridge8888 2011-06-16 2011-06-19 17:56:54 by 小草阳
[Abinit] [已完结]高压下优化 (3/628) ridge8888 2011-06-13 2011-06-15 19:05:57 by ridge8888
[Abinit] [已完结][关贴]求助台湾中正大学abinit教程里面的源代码 (1/523) ridge8888 2011-06-01 2011-06-13 12:36:38 by ridge8888
[Abinit] GW 方法可以算出能量， 用GW可以优化结构吗 (1/551) provels 2011-06-10 2011-06-12 20:32:05 by lvjian8596
[Abinit] [已完结]abinit运行结果! (1/1177) shuo2008 2011-06-12 2011-06-12 20:20:59 by zjuer
[Abinit] [已完结]与abinit有关的软件 (1/536) ridge8888 2011-06-12 2011-06-12 16:00:13 by iamikaruk
[Abinit] [已完结]虚心请教abinit几个问题。 (1/482) ridge8888 2011-06-12 2011-06-12 08:46:12 by wenjlu
[Abinit] [已完结]Abinit安装求助！ (2/626) shuo2008 2011-06-10 2011-06-11 11:58:17 by mazuju028
[Abinit] 压电性　MS　Abinit (2/1270) Andyzd 2011-06-10 2011-06-11 00:47:13 by 白衣
[Abinit] 【分享】abinit实例 (4/1419) fanny0007 2010-12-01 2011-06-10 07:23:15 by yjwyjwyjw
[Abinit] [已完结]abinit的外围程序 (2/587) ridge8888 2011-06-09 2011-06-09 10:56:31 by wenjlu
[Abinit] 【求助】求助安装abinitbandstructuremaker.py? (3/798) frank_zhan 2010-10-29 2011-06-08 20:04:25 by kcg001kcg
[Abinit] 【求助】关于Born effective charge的问题 (3/1518) yy08 2010-10-31 2011-06-06 00:47:40 by iamikaruk
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