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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] 323求调剂 洼小桶 2026-03-23 刚刚
[Abinit] [已完结]abinit 掺杂脚本该怎么写 (0/497) by454 2017-02-22 2017-02-22 22:03:57 by by454
[Abinit] [已完结]求abinit能带数据后处理程序（提取数据后,可以导入origin) (5/1318) 返求诸己 2017-01-13 2017-01-18 08:49:59 by lidx123
[Abinit] [已完结]ABINIT并行安装 (5/1900) lidx123 2016-11-07 2017-01-03 12:18:29 by lidx123
[Abinit] [已完结]求会DFT方法的虫虫帮我计算一下结合能，重谢    ( 1 2 ) (15/2889) chentao20 2016-12-26 2016-12-27 11:38:19 by dazao
[Abinit] [已完结]有关电荷转移的一些计算，概念不太清晰，请大家指点 (0/860) winxuan 2016-12-26 2016-12-26 10:13:20 by winxuan
[Abinit] [已完结]ABINIT电声耦合计算 (2/1237) armaity 2016-12-12 2016-12-12 16:02:16 by armaity
[Abinit] [已完结]太多I/O，计算中断，怎么办 (1/671) wunianleng 2016-11-30 2016-12-08 22:42:34 by souledge
[Abinit] [已完结]abinit 可以算偏振态的拉曼谱吗？    ( 1 2 ) (10/1326) future_wl 2013-01-26 2016-11-10 18:33:55 by 望在心里wx
[Abinit] [已完结]有单独安装过bigdft的吗 (2/962) sdwawa 2015-09-11 2016-11-10 01:46:18 by jkfdhgsk
[Abinit] Gaussian Viewer5使用教程 (31/2291) 碧水山庄 2013-05-02 2016-11-03 09:42:12 by 滴水石
[Abinit] [已完结]abinit计算快慢与cpu的核心数和线程有关系吗，还是只与主频有关系 (1/1139) by454 2016-09-06 2016-10-27 17:36:09 by 陈昭0015
[Abinit] [已完结]形成能 (5/1056) zym765319199 2016-08-07 2016-10-20 07:39:41 by 吃鱼的牛仔
[Abinit] [已完结]求助abint中断后，续算的问题 (2/1030) 返求诸己 2016-07-30 2016-09-09 16:26:38 by 邹辉
[Abinit] 关于LDA+U的问题 (0/657) lee_joey 2016-09-06 2016-09-06 20:23:32 by lee_joey
[Abinit] [已完结]在计算ZrO2的收敛测试时出现问题 (6/1303) scuedu2 2015-09-11 2016-08-29 13:30:17 by zhaowsddx
[Abinit] [已完结]abinit中没有稀土元素的赝势文件吗 (0/545) by454 2016-08-29 2016-08-29 13:23:48 by by454
[Abinit] [已完结]nscf with large nbands (0/1023) newton3915 2016-08-28 2016-08-28 09:05:21 by newton3915
[Abinit] [已完结]谁能教我用用abinit中的Orbital-free DFT (1/765) ikea1984 2012-11-28 2016-08-23 19:11:47 by spielfuehrer
[Abinit] [已完结]MS建模 (0/466) zym765319199 2016-08-21 2016-08-21 21:08:38 by zym765319199
[Abinit] [已完结]GGA+U (1/881) zym765319199 2016-08-08 2016-08-10 14:38:44 by 元宝___
[Abinit] [已完结]教程 (1/637) zym765319199 2016-08-09 2016-08-09 10:31:30 by 从心而觅
[Abinit] [已完结]K点测试 (2/1422) zym765319199 2016-08-06 2016-08-06 13:23:38 by c19940408
[Abinit] [已完结]脚本 (1/859) zym765319199 2016-08-02 2016-08-03 15:33:17 by 漫天飘雪
[Abinit] 精华I:  【ABINIT必备】ABINIT关键字+tutorial(超链接&标签)（已更新至6.10.2）    ( 1 2 ) (95/5522) fzx2008 2011-05-13 2016-07-27 14:08:40 by armaity
[Abinit] vasp计算 (9/1714) zym765319199 2016-07-26 2016-07-27 09:20:39 by zym765319199
[Abinit] [已完结]新人求助——想用Abinit做光催化材料的能带计算，需要买什么配置的硬件？ (2/790) bear_teach 2016-07-26 2016-07-26 21:18:23 by bear_teach
[Abinit] [已完结]KPOINTS (3/1139) zym765319199 2016-07-23 2016-07-26 11:54:42 by zym765319199
[Abinit] [已完结]RWIGS (5/1536) zym765319199 2016-07-24 2016-07-25 18:36:53 by zym765319199
[Abinit] [已完结]请教如何使用abinit的新赝势能PAW新赝势(XML格式)？ (1/1095) 返求诸己 2016-07-23 2016-07-25 14:39:34 by lindlar0078
[Abinit] [已完结]关于第一性原理的一些提问 (1/1089) 大爱_小情绪 2015-12-03 2016-07-25 12:04:47 by winpz
[Abinit] [已完结]脚本 (0/679) zym765319199 2016-07-24 2016-07-24 17:19:39 by zym765319199
[Abinit] abinit软件安装步骤（亲测）    ( 1 2 ) (16/4858) lidx123 2014-04-04 2016-07-23 08:12:17 by 邹辉
[Abinit] [已完结]FORTRAN (1/470) zym765319199 2016-07-22 2016-07-22 19:39:55 by laixin631
[Abinit] [已完结]p4v (1/530) zym765319199 2016-07-22 2016-07-22 11:10:18 by obaica
[Abinit] [已完结]赝势 (6/1056) zym765319199 2016-07-19 2016-07-22 09:26:38 by zym765319199
[Abinit] [已完结]DOS (4/1164) zym765319199 2016-07-20 2016-07-21 10:21:23 by zym765319199
[Abinit] [已完结]化学位移 (0/381) zym765319199 2016-07-20 2016-07-20 09:18:10 by zym765319199
[Abinit] [已完结]求电子激发的离子化截面程序 (0/293) rlafite 2016-06-20 2016-06-20 02:52:29 by rlafite
[Abinit] [已完结]天河二号上如何编译Abinit ? (5/1245) obaica 2016-06-09 2016-06-11 21:28:42 by emilyoyang
[Abinit] 精华II:  在Cluters上编译并行版Abinit 6.10.3 MPI-64 (4/1781) lindlar0078 2011-12-23 2016-06-09 12:26:28 by obaica
[Abinit] [已完结]利用abinit计算声子出现问题 (1/409) diandianer 2016-06-06 2016-06-06 16:18:32 by obaica
[Abinit] [已完结]ABINIT计算过程中OUT文件中提示Symmetries : the unit cell is not primitive (2/1007) kongkkk 2016-04-17 2016-04-19 15:48:53 by kongkkk
[Abinit] 关于ZnO极性面钝化添加赝氢问题 (4/2498) zhunzhunbing 2012-11-21 2016-03-14 09:10:22 by wangyan6930
[Abinit] abinit提交作业脚本 (2/795) 乘爱远航 2015-12-25 2016-01-17 22:48:52 by 乘爱远航
[Abinit] [已完结]水团簇 经验势 (1/594) 孤傲隐者 2012-03-12 2016-01-06 06:51:39 by SZM南城无北
[Abinit] [已完结]Abinit计算二维材料加垂直电场 (0/735) maxfei 2015-12-08 2015-12-08 06:55:04 by maxfei
[Abinit] 【求助】关于Dielectric Tensor的问题 (5/1517) yy08 2010-05-22 2015-12-02 06:59:49 by huaerkl
[Abinit] [已完结]第一性原理 (4/959) xiaoleihit 2015-12-01 2015-12-01 22:37:21 by xiaoleihit
[Abinit] abinit软件是32位的还是64位的 (2/773) by454 2015-09-04 2015-11-30 16:45:49 by by454
[Abinit] Abinit能带和态密度计算中的问题 (8/2240) yanrong_88 2013-04-17 2015-11-30 10:50:18 by 乘爱远航
[Abinit] [已完结]请问用abinit画DOS图，为什么在OUT文件中费米能量有数值但是在_DOS文件中为0？ (2/1080) jhr0311 2014-10-30 2015-11-30 10:40:44 by 乘爱远航
[Abinit] 【分享】分享国外用abinit做的博士论文 (47/4621) qingliniao 2009-04-15 2015-11-24 19:02:54 by onion2440
[Abinit] ABINIT实战手册 (9/3422) 温馨圆梦 2012-03-16 2015-10-27 14:58:54 by 缘亦是亦不是
[Abinit] [已完结]mixalch的疑问 (0/470) qbaiyi 2015-10-20 2015-10-20 13:07:07 by qbaiyi
[Abinit] 【求助】安装的老问题了，在版上没找到答案configure error (4/1836) dinnle 2010-11-02 2015-09-30 10:28:31 by leiboy
[Abinit] [已完结]Abinit的官网“目前”上不了了！ (4/923) newyiding 2015-09-07 2015-09-15 07:59:54 by MikeMatt
[Abinit] [已完结]请问大家今年暑期暑期有地方开Abinit培训班吗？ (3/701) 大大宝石 2014-04-18 2015-09-07 10:42:12 by newyiding
[Abinit] [已完结]在Checking input parameters for consistency 处停止了 (1/551) onion2440 2015-09-05 2015-09-05 16:32:04 by onion2440
[Abinit] [已完结]结构优化时重叠太高 (0/387) lidx123 2015-09-04 2015-09-04 11:00:27 by lidx123
[Abinit] [已完结]安装 (1/663) zuocuiping 2015-08-18 2015-08-18 16:11:02 by obaica
[Abinit] 并行版abinit-6.12.3，经测试可正常使用 (评阅+8) (9/2018) lindlar0078 2012-10-12 2015-08-18 09:56:34 by zuocuiping
[Abinit] [已完结]氧气分子的化学势 (9/3336) lidx123 2015-06-18 2015-07-16 11:24:24 by lidx123
[Abinit] [已完结]请问怎么让abinit链接wannir90 (1/722) pangrui1985 2015-06-18 2015-06-18 19:28:28 by KalaShayminS
[Abinit] 【求助】Abinit, Pwscf 软件选择问题    ( 1 2 ) (15/3819) lichain 2010-08-25 2015-06-16 07:12:16 by sungjen
[Abinit] 【分享】用命令xmgrace直接将Abinit计算结果画成二维图。 (评阅+3) (4/1565) frank_zhan 2010-10-28 2015-06-13 17:42:57 by 糖醋排骨945
[Abinit] 分子得失电子与分子轨道移动的关系 (2/872) 耳东人士 2015-04-01 2015-06-07 17:44:53 by pangrui1985
[Abinit] [已完结]在天河集群怎样安装abinit (2/943) Cautumn 2015-05-30 2015-05-30 14:15:04 by WanderingHeart
[Abinit] [已完结]请问如何将abinit得出的_DEN文件转换成vasp的CHGCAR文件？ (1/599) jhr0311 2015-05-25 2015-05-26 10:29:49 by jhr0311
[Abinit] [已完结]Bader电荷分析中性分子为什么会带少量负电？ (4/1115) jhr0311 2015-05-14 2015-05-20 13:43:54 by jhr0311
[Abinit] [已完结]在fedora21上安装abinit-7.10.4，make出错。 (3/1152) byu15_CAF 2015-05-16 2015-05-17 15:22:56 by KalaShayminS
[Abinit] [已完结]Abinit 并行编译问题 (3/1260) 伤心春草 2015-04-27 2015-05-03 19:27:33 by souledge
[Abinit] cut3d 错误    ( 1 2 3 ) (22/1606) 0751cj 2015-04-08 2015-05-02 20:41:32 by In210
[Abinit] [已完结]关于Abinit结构优化的问题。。。。。 (6/1397) 若博特 2012-12-16 2015-04-19 15:55:44 by gswylq
[Abinit] [已完结]abinit计算声子，freq后缀文件格式请教？@_@ (1/563) dirtor 2015-03-19 2015-04-06 21:47:41 by fengshiquan
[Abinit] [已完结]声子能带路径问题 (5/1209) huterx 2015-01-27 2015-04-06 19:07:22 by fengshiquan
[Abinit] [已完结]求可以免费用的计算平台，谢谢！ (2/830) lidx123 2015-03-25 2015-03-26 02:16:25 by lfhuang
[Abinit] Abinit-7.8.2带各种插件如libxc等的编译方法，PAW计算直接读取.xml文件 (2/2003) lindlar0078 2014-11-03 2015-03-14 16:39:59 by lindlar0078
[Abinit] [已完结]结构优化出错 (1/507) huterx 2015-02-10 2015-02-21 22:47:12 by huterx
[Abinit] [已完结]安装openmpi时出现错误,如何解决？ (1/4223) TS_boy 2015-01-26 2015-01-26 15:02:06 by 未岸亡灵
[Abinit] [已完结]高斯09优化出错，请大侠帮忙 (2/954) RRAM 2014-12-25 2014-12-27 12:57:12 by RRAM
[Abinit] [已完结]abinit编译错误    ( 1 2 ) (11/2813) 0751cj 2014-12-19 2014-12-24 01:34:01 by KalaShayminS
[Abinit] [已完结]make信息 (0/357) 0751cj 2014-12-13 2014-12-13 23:08:19 by 0751cj
[Abinit] abinit 计算workfunction 和 density of state (2/968) lejiabo1103 2014-11-26 2014-11-30 09:34:47 by 阿Q~~
[Abinit] [已完结]电荷补偿的计算 (2/1515) 他邻家大爷 2014-11-28 2014-11-30 08:07:39 by valenhou001
[Abinit] [已完结]界面间距优化    ( 1 2 ) (12/1437) houyanhui8 2014-10-10 2014-10-21 09:36:40 by sungjen
[Abinit] [已完结][关贴]求助一高斯计算问题 (6/969) WJ581692 2014-09-02 2014-10-20 19:56:45 by WJ581692
[Abinit] [已完结]杂化泛函的应用跟本身的赝势文件有关系吗？ (5/1610) pariah 2012-12-11 2014-10-20 10:58:18 by stractor
[Abinit] [已完结]Abinit网站中最新的PAW赝势库如何处理    ( 1 2 ) (12/2971) lidx123 2014-10-07 2014-10-13 17:05:53 by KalaShayminS
[Abinit] [已完结]关于计算半导体光学性质    ( 1 2 ) (11/3196) cholmon 2014-06-07 2014-09-25 04:53:14 by 苦行客
[Abinit] [已完结]请问Abinit有什么可视化软件可以用 (0/562) zsjan 2014-08-25 2014-08-25 11:54:53 by zsjan
[Abinit] 2007年和2011年两次International ABINIT Developer Workshop 相关资料    ( 1 2 ) (54/1464) lei0819 2012-04-04 2014-07-26 13:21:22 by gswylq
[Abinit] [已完结]为什么我算的绝缘体费米能级处态密度不为0 (5/3012) Jcever 2014-07-14 2014-07-17 15:34:28 by 利ley
[Abinit] 关于相变的疑惑    ( 1 2 ) (15/2058) liujinlei08 2014-05-29 2014-07-13 11:00:32 by dxcharlary
[Abinit] [已完结]v_sim 安装 (5/4114) hisap-nano 2011-11-19 2014-07-05 14:08:07 by zyl雨田
[Abinit] [已完结]vasp计算弹性常数出现施加应变后能量最低 (0/1101) wanglu_298 2014-06-24 2014-06-24 09:08:27 by wanglu_298
[Abinit] [已完结]计算Raman的峰宽 (6/1031) tangosnow 2013-01-25 2014-06-21 08:34:43 by mouwat
[Abinit] 各路大神求助 怎么才能实现不同温度下的晶体参数计算 (0/394) 无缘无怨 2014-06-10 2014-06-10 14:50:10 by 无缘无怨
[Abinit] [已完结]改变键长求氢分子和水分子的能量 (0/1136) hrqwe 2014-05-26 2014-05-26 16:58:18 by hrqwe
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