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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] 纳米粒子粒径的测量 枝上柳绵吹又少 2026-01-19 刚刚
[Abinit] [已完结]在线等！tutorial test 1 H2 计算总能 只有log，没有其他！（已解决） (2/739) charles0116 2013-03-24 2013-03-24 18:07:32 by charles0116
[Abinit] [已完结]如何计算clamped-ion 和free_stress 状态下的介电常数 (4/1561) huleii 2013-02-08 2013-03-23 04:57:43 by tangosnow
[Abinit] [已完结]关于晶体优化问题 (6/2163) gynan2008 2013-03-13 2013-03-21 21:15:26 by Local_Spin
[Abinit] 【求助】Abinit计算中断后怎么接着算？ (5/906) mazuju028 2010-12-06 2013-03-21 17:40:58 by newness
[Abinit] LDA的over binding和GGA (6/1255) tangosnow 2013-02-08 2013-03-14 20:29:23 by fyz7232
[Abinit] 用ab initial 计算的分子之间的势能曲线（或势能面）准确度高吗？ (1/968) zhuzhisurpa 2013-03-05 2013-03-14 19:01:09 by kongyan21th
[Abinit] [已完结]abinit 赝势无法下载 (1/620) whw19850730 2013-03-14 2013-03-14 18:28:38 by kongyan21th
[Abinit] [已完结]关于abinit windows版 (5/1794) mansamsung8113 2011-12-12 2013-03-14 16:11:53 by kongyan21th
[Abinit] [已完结]计算半导体能带    ( 1 2 ) (11/1284) xxxj 2012-11-14 2013-02-10 11:55:34 by qq364085265
[Abinit] [已完结]晶体优化结果有问题 (1/553) gynan2008 2013-01-07 2013-02-08 10:54:13 by tangosnow
[Abinit] 【求助】abinit计算RF时出错 (1/771) 学员UKbkc5 2010-10-13 2013-02-08 08:47:12 by huleii
[Abinit] 【求助】abinit 内存要2.73G,算不动咋办？ (10/1667) oscar5667 2011-01-18 2013-02-07 00:25:44 by ljludwig
[Abinit] [已完结]系统问题 (8/561) abel_zhao 2013-01-07 2013-02-05 10:32:00 by abel_zhao
[Abinit] [已完结]用abinit计算表面吸附怎么样？ (0/600) vallen 2013-01-29 2013-01-29 23:40:36 by vallen
[Abinit] [已完结]Abinit 声子总态密度和分态密度是怎么画的？ (4/1007) 月空星痕 2012-11-28 2013-01-26 08:39:05 by huleii
[Abinit] [已完结]怎么计算Raman coefficient.急！！！！！！ (4/477) crante 2013-01-24 2013-01-24 19:51:03 by crante
[Abinit] [已完结]如何用abinit算 Bader charge ？ (1/614) sulei0 2012-06-09 2013-01-24 12:20:15 by voleyes
[Abinit] [已完结]abinit 中用molecule dynamics怎么键入命令启动呢？ (1/342) 天气就是风景 2012-10-28 2013-01-24 12:09:50 by voleyes
[Abinit] [已完结]台湾中正大学abinit_bm,abinit_str,abinit_dos和abinit_ldos (0/342) huleii 2013-01-22 2013-01-22 08:59:28 by huleii
[Abinit] [已完结]怎么找材料的详细数据（能带，结构参数等等）    ( 1 2 ) (11/3230) sheng-1991 2012-09-04 2013-01-15 12:17:43 by zhuchunlli
[Abinit] [已完结]abinit中in 文件里面rprim如何确定？ (4/846) gynan2008 2012-12-25 2013-01-07 23:58:45 by 天气就是风景
[Abinit] [已完结]求推荐有色金属学报的审稿人啊 (1/371) luokang 2013-01-07 2013-01-07 14:27:42 by luokang
[Abinit] [已完结]关于abinit的优化问题 (3/1067) gynan2008 2012-11-22 2013-01-05 17:08:47 by 天气就是风景
[Abinit] [已完结]求助关于能带的标识 (3/492) pariah 2012-12-11 2013-01-05 16:37:32 by 天气就是风景
[Abinit] [已完结]求助一个关于声子谱计算的问题。。。。。 (1/390) 若博特 2013-01-04 2013-01-04 09:40:33 by souledge
[Abinit] abinit-6.12.3 (1/662) k_now 2012-06-03 2012-12-30 09:27:37 by huilaoshu999
[Abinit] ABIBIT 出新版本了 可以算许多新模块 好像很牛啊    ( 1 2 ) (评阅+2) (11/1541) mrd-81 2012-11-27 2012-12-29 22:32:20 by vv_china
[Abinit] Abinit 能不能计算过渡态结构？ (2/464) voleyes 2012-12-24 2012-12-24 21:11:43 by souledge
[Abinit] [已完结]输入文件中的原子位置怎么写 (4/1291) gynan2008 2012-12-12 2012-12-14 09:51:59 by 若博特
[Abinit] [已完结]MS中 TiO2 纳米管如何建模 (0/608) 鱼落凡间6016 2012-12-13 2012-12-13 17:53:30 by 鱼落凡间6016
[Abinit] [已完结]菜鸟求助关于加压优化的问题。。。 (5/1082) 若博特 2012-12-04 2012-12-10 17:12:09 by 若博特
[Abinit] ABINIT的并行效率着实不高 (6/1117) Toapollo 2012-09-22 2012-12-07 02:21:14 by tangosnow
[Abinit] 【求助】请问各位高手ABINIT输出的Pressure 代表什么压力 和做压力计算有关吗 (9/1727) mrd-81 2010-10-13 2012-12-04 07:07:23 by 若博特
[Abinit] [已完结]请求帮助，Abinit运行时遇到的问题 (5/703) meyhf 2012-11-26 2012-11-30 19:39:42 by mailoliver
[Abinit] [已完结]声子谱计算光学支问题---求高手指导 (0/1462) 月空星痕 2012-11-23 2012-11-23 17:19:37 by 月空星痕
[Abinit] [已完结]用abinit 试着计算一个氢分子的激发态时 遇到的错误 (2/387) meyhf 2012-11-20 2012-11-21 10:32:51 by meyhf
[Abinit] [已完结]计算NIAL-简单立方结构声子出问题！在线等~~~~~ (3/836) 月空星痕 2012-11-19 2012-11-20 10:46:55 by 月空星痕
[Abinit] 一篇全面介绍abinit功能的文章-CPC（30多页） (6/1530) lyqwin 2012-11-10 2012-11-13 09:37:46 by synu
[Abinit] [已完结]Abinit中shiftk，kptrlatt 的用法 (2/468) meyhf 2012-11-06 2012-11-06 18:35:20 by meyhf
[Abinit] [已完结]abinit计算弹性常数的几个小问题 (3/1232) gynan2008 2012-10-25 2012-11-01 05:48:17 by tangosnow
[Abinit] [已完结]abinit能带作图 (2/556) gynan2008 2012-10-29 2012-10-30 15:20:21 by gynan2008
[Abinit] [已完结]ABINIT 求助声子画图问题 (1/530) 月空星痕 2012-10-17 2012-10-22 05:54:29 by Toapollo
[Abinit] 有关nshiftk和shiftk点的设置问题 (2/590) maomaotu9315 2012-10-20 2012-10-20 23:17:20 by Toapollo
[Abinit] 关于abinit输入文件问题 (3/676) maomaotu9315 2012-10-14 2012-10-16 22:29:12 by hzj12399
[Abinit] [已完结]abinit 6.12.3版本在linux下的安装流程 (1/976) maomaotu9315 2012-10-16 2012-10-16 12:55:37 by lindlar0078
[Abinit] [已完结]高斯计算有机物异构体的问题 (0/513) w50082007 2012-10-15 2012-10-15 14:26:39 by w50082007
[Abinit] [已完结]菜鸟新手求问abinit的安装问题 (2/428) serpplu 2012-10-09 2012-10-09 13:27:11 by pariah
[Abinit] [已完结]如何加电场 (1/633) maomaotu9315 2012-10-05 2012-10-06 09:36:03 by tangosnow
[Abinit] [已完结]tunnel splitting (1/370) z6242948 2012-09-25 2012-09-25 17:14:31 by mywtfmp3
[Abinit] [已完结]金属酶抑制剂求助 谢谢 (0/316) 红色石头6739 2012-09-20 2012-09-20 15:23:37 by 红色石头6739
[Abinit] 【求助】ABINIT如何计算红外、拉曼光谱？ (1ST强帖+1)(9/2946) identation 2010-03-19 2012-09-18 09:00:00 by mywtfmp3
[Abinit] [已完结]自旋轨道耦合的计算费米能级的位置总是比文献中高一些，纠结 (1/825) 80150081 2012-06-19 2012-09-11 20:54:46 by sars518
[Abinit] [已完结]运行Abinit，提示illegal instruction是怎么回事 (0/249) lufly89 2012-09-06 2012-09-06 10:17:42 by lufly89
[Abinit] [专家] [已完结]Abinit计算声子问题    ( 1 2 ) (10/2591) souledge 2011-12-10 2012-09-05 05:43:49 by future_wl
[Abinit] [已完结]求关注！！如何把MS中的图形导入其他软件中，直接读取键长键角数据呢？ (7/1905) 415999915 2012-04-18 2012-08-11 08:16:41 by 水晶蚂蚁
[Abinit] [关贴]求MASP linux并行软件 及相关模块的学习资料 (7/897) 026li 2012-05-16 2012-07-24 11:52:47 by wanwanq
[Abinit] [已完结]自旋极化 (0/962) janet2012222 2012-07-18 2012-07-18 09:51:09 by janet2012222
[Abinit] [已完结]用vasp+phonopy计算声子能带，请教如何设置声子能带数？ (1/989) yayanoba 2012-07-03 2012-07-04 18:30:08 by souledge
[Abinit] Abinit 计算时rprim的疑惑 (8/2671) pariah 2011-09-02 2012-06-26 20:41:23 by ljludwig
[Abinit] 晶向问题 (0/372) laohu314422 2012-06-26 2012-06-26 16:20:47 by laohu314422
[Abinit] [已完结]急求问题:abinit计算弹性常数的方法 (0/332) yjwyjwyjw 2012-06-23 2012-06-23 16:39:40 by yjwyjwyjw
[Abinit] [已完结]求助如何用abinit算bader charge??? (2/345) yangzhenhui 2012-06-08 2012-06-08 23:22:04 by yangzhenhui
[Abinit] [已完结]集群计算 (2/449) janet2012222 2012-06-06 2012-06-07 14:43:12 by janet2012222
[Abinit] MAGMOM 取大 取小 (评阅+10) (9/937) guoshukuan 2012-05-19 2012-06-06 21:11:42 by casjxm
[Abinit] [已完结]请问abinit可以算bader effective charge吗，如何算啊？求指教！ (4/945) yangzhenhui 2012-06-03 2012-06-04 17:32:56 by sars518
[Abinit] [已完结]安装mpc出现了问题，求解决 (0/293) k_now 2012-05-31 2012-05-31 17:10:30 by k_now
[Abinit] [已完结]HCP Ti 的功函数计算 (0/576) hisap-nano 2012-05-24 2012-05-24 06:29:46 by hisap-nano
[Abinit] [已完结]关于磁性材料的自旋问题！ (2/465) endeavor2 2012-04-19 2012-05-23 08:29:35 by endeavor2
[Abinit] Abinit计算Ni的磁性，太小了？    ( 1 2 ) (14/1495) lbbz323 2012-05-22 2012-05-22 21:22:15 by lbbz323
[Abinit] 【求助】安装问题，安装后程序无法执行    ( 1 2 ) (12/2069) lanheise 2010-06-25 2012-05-22 17:28:41 by springxa
[Abinit] 【求助】abinit如何能得到m分量的投影态密度？ (4/994) wenjlu 2010-11-06 2012-05-14 07:59:41 by songbone
[Abinit] [已完结]想计算高电子温度下，半导体的一些性质，请教设置问题 (0/254) fengshiquan 2012-05-13 2012-05-13 21:36:25 by fengshiquan
[Abinit] [已完结]声子带结构的绘制问题 (4/1072) fengshiquan 2012-05-13 2012-05-13 19:33:08 by fengshiquan
[Abinit] 【求助】请问大家在做声子计算时，这个 qpt是按照什么设置的？？？？ (9/2217) wyez 2009-12-27 2012-05-13 14:11:13 by fengshiquan
[Abinit] [已完结]状态方程 (1/406) janet2012222 2012-05-12 2012-05-12 19:18:02 by souledge
[Abinit] ABINIT实战手册 (5/1914) 温馨圆梦 2012-01-06 2012-05-12 10:03:18 by qinye87
[Abinit] abinit运算结果中出现WARNING (2/622) lbbz323 2012-05-06 2012-05-10 23:24:52 by lbbz323
[Abinit] [已完结]设置问题 (0/312) fengshiquan 2012-05-10 2012-05-10 10:16:17 by fengshiquan
[Abinit] [已完结]如何计算拉曼光谱 (0/879) fengshiquan 2012-05-09 2012-05-09 18:51:12 by fengshiquan
[Abinit] [已完结][关贴]求问abinit-5.8.4编译 (6/894) identation 2012-01-02 2012-05-05 16:05:55 by fengshiquan
[Abinit] 【求助】linux下怎么安装 abinit 软件？ (8/1685) frank_zhan 2010-10-02 2012-05-05 06:01:23 by fengshiquan
[Abinit] [已完结]谁有给个C元素的PAW 赝势（三个three projectors） (0/280) njuxyh 2012-05-04 2012-05-04 10:38:02 by njuxyh
[Abinit] 超晶包 矩阵选取 (0/245) mao_benben 2012-05-04 2012-05-04 09:16:03 by mao_benben
[Abinit] [已完结]Ubuntu新立得中自带的abinit计算问题 (0/478) fengshiquan 2012-05-04 2012-05-04 09:11:30 by fengshiquan
[Abinit] [已完结]ABINIT 中能用VDW泛函吗？ (3/567) njuxyh 2012-04-23 2012-04-25 12:41:06 by njuxyh
[Abinit] [已完结]Abinit中原胞及惯用晶胞和K点之间的关系 (2/929) lei0819 2012-04-16 2012-04-17 18:06:26 by lei0819
[Abinit] [已完结]abinit 几何结构优化无法收敛 (0/753) caqhero 2012-04-16 2012-04-16 16:36:14 by caqhero
[Abinit] 相图和AB inito (8/2111) popo0810 2012-04-08 2012-04-10 01:21:02 by popo0810
[Abinit] [已完结]input.kpt文件里面的shiftk是什么意思？ (1/1249) haowenping 2011-11-11 2012-04-09 06:44:35 by haowenping
[Abinit] 杂化泛函 HSE06 自旋极化 初始磁矩 (5/1768) guoshukuan 2012-04-04 2012-04-05 16:19:24 by guoshukuan
[Abinit] 碱金属赝势问题 (1/404) zjuer 2012-04-05 2012-04-05 12:54:15 by wenjlu
[Abinit] [已完结]abinit软件安装（加50金币） (3/911) 月下冰魂 2011-11-10 2012-04-05 10:27:33 by souledge
[Abinit] [已完结]Abinit 并行运算和串行运算的差别 (6/2462) lei0819 2012-03-14 2012-03-31 12:35:16 by goldenfisher
[Abinit] [已完结]abinit 的几个问题 (1/776) lei0819 2012-03-27 2012-03-28 13:45:57 by lei0819
[Abinit] abinit 6.12.1版本 (3/1895) lindlar0078 2012-02-05 2012-03-21 20:48:38 by vv_china
[Abinit] GGA+U 计算量 (8/1512) guoshukuan 2012-03-18 2012-03-20 14:29:42 by guoshukuan
[Abinit] [已完结]如何得到投影分波态密度？有价值的回答赠送更多金币！ (1/952) wenjlu 2012-03-19 2012-03-19 23:20:50 by souledge
[Abinit] [已完结]从DOS怎样才能知道费米能级处态密度的值？ (0/1633) janet2012222 2012-03-17 2012-03-17 22:01:13 by janet2012222
[Abinit] [已完结]假想共价键的重叠布局Pc怎么求啊 (0/344) janet2012222 2012-03-17 2012-03-17 20:59:40 by janet2012222
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