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[热点] 垃圾破二本职称评审标准 Yyds55 2025-12-25 刚刚
[ADF/Dal ] windows中ADF并行计算的方法 (5/1450) yjr 2011-12-05 2014-07-16 13:33:29 by qdykswang
[ADF/Dal ] [已完结]Dalton2013.3内存不够的错误怎么解决 (2/859) zhangyujin 2014-06-30 2014-07-01 20:06:00 by zhangyujin
[ADF/Dal ] [已完结]求助一个ADF软件 (0/548) zhliang555 2014-07-01 2014-07-01 17:18:33 by zhliang555
[ADF/Dal ] 【求助】用ADF做过渡态优化和频率分析的时候,可以设置温度和压力吗 (2/590) lxmn 2010-06-04 2014-06-30 17:12:17 by ygq1990
[ADF/Dal ] [已完结]集群重装以后Dalton任务加了PCM就跑不完结束时怎么回事 (0/267) zhangyujin 2014-06-17 2014-06-17 08:57:36 by zhangyujin
[ADF/Dal ] Dalton-2013安装小记 (评阅+3) (2/1593) zhangguangping 2014-06-16 2014-06-16 17:46:10 by ggdh
[ADF/Dal ] [已完结]Dalton计算PCM下的小分子性质出错 (0/376) zhangyujin 2014-06-14 2014-06-14 20:48:53 by zhangyujin
[ADF/Dal ] [已完结]Window下建立的run文件，为什么提交到服务器不能算？ (2/543) sdjgdu 2014-06-12 2014-06-14 17:15:11 by 独唱团
[ADF/Dal ] [已完结]Dalton2011 错误 (2/361) kuyen 2014-06-02 2014-06-02 16:22:30 by ggdh
[ADF/Dal ] [已完结][关贴]用ADF优化激发态N2分子，结果文件中如何分析电子跃迁偶极矩是多少？ (2/755) 孟广昊 2014-05-28 2014-05-29 10:16:01 by 孟广昊
[ADF/Dal ] [已完结]在linux下运行ADF出错    ( 1 2 ) (18/2160) 千字文 2013-11-18 2014-05-12 14:07:14 by 千字文
[ADF/Dal ] 分享ADF最新license喽~6月30号到期 (11/2428) lipeng87 2011-06-02 2014-05-07 19:28:16 by summer900601
[ADF/Dal ] [已完结]ADF片段分析 (1/463) 浅曳伊言 2014-04-25 2014-04-27 09:22:50 by jiangning198511
[ADF/Dal ] [已完结][关贴]ADF能计算电子密度吗？ (0/280) shasha87 2014-04-21 2014-04-21 16:44:29 by shasha87
[ADF/Dal ] 关于gaussian计算时，文件里面的自旋多重度的设置问题。 (10/2572) 小范范1989 2014-04-11 2014-04-11 23:20:43 by 1554840238
[ADF/Dal ] [已完结]如何自定义溶剂DMF (0/581) jiahh_12 2014-04-03 2014-04-03 18:28:39 by jiahh_12
[ADF/Dal ] [已完结]ADF软件是在Born-Oppenheimer近似下进行计算的还是超越了Born-OPppenheimer近似？ (1/816) shasha87 2014-03-31 2014-04-01 20:48:58 by hookah
[ADF/Dal ] [已完结]如何把“占据轨道和占据轨道之间存在的虚轨道”消除？    ( 1 2 ) (13/1397) 轩辕重出江湖 2013-11-07 2014-04-01 11:28:45 by lvchunmei11
[ADF/Dal ] [已完结][关贴]如何在ADF中断后，继续进行这个任务的计算？ (0/386) yuliwang 2014-03-31 2014-03-31 23:05:35 by yuliwang
[ADF/Dal ] [已完结]带电荷分子的Dalton输入文件怎么写 (0/364) jiahh_12 2014-03-29 2014-03-29 15:38:42 by jiahh_12
[ADF/Dal ] [已完结]DMFT计算，从小体系到大体系需要做的变化 (2/1200) scpchaos 2013-02-14 2014-02-28 16:44:58 by 王凯0370
[ADF/Dal ] AD Fwindows下可以多核运行不？怎么设置呀 (0/422) jarry@zyy 2014-02-24 2014-02-24 12:13:04 by jarry@zyy
[ADF/Dal ] [已完结][关贴]准备学习ADF，不知从何下手 (1/629) xj20120828 2014-01-18 2014-01-18 22:02:49 by xj20120828
[ADF/Dal ] [已完结]ADF结构优化收敛问题 (9/2048) haihai_zhu 2012-03-08 2013-12-21 19:26:29 by zhouwohua
[ADF/Dal ] [已完结]ADF几何优化错误：GEOMETRY DID NOT CONVERGE (2/1207) 生平6 2012-06-01 2013-12-20 13:11:46 by zhaogaiyun
[ADF/Dal ] [已完结]急急急急急急急急急 ADF能量分解 (0/394) 768805354 2013-11-26 2013-11-26 11:14:11 by 768805354
[ADF/Dal ] [已完结]DALTON的用法指点 (0/394) lyfchem 2013-11-15 2013-11-15 09:20:38 by lyfchem
[ADF/Dal ] Dalton2013发布 (1/1043) wuy069 2013-11-11 2013-11-11 16:51:58 by qchem
[ADF/Dal ] [已完结]作基态优化的输入文件 (2/821) tangjia16888 2013-11-11 2013-11-11 15:08:46 by tangjia16888
[ADF/Dal ] [已完结]ADF优化后的结构 (0/433) sgx5358 2013-10-18 2013-10-18 09:54:28 by sgx5358
[ADF/Dal ] [已完结]MOPAC可不可以计算周期性体系？ (5/1317) conperint 2013-10-09 2013-10-17 16:12:38 by conperint
[ADF/Dal ] [已完结]谁能懂附图中有关电子能级图的意思？？？谢谢了！！！ (0/1038) heaven_sight 2013-10-15 2013-10-15 18:59:39 by heaven_sight
[ADF/Dal ] [已完结][关贴]ADF与Dalton有实质性的差别？ (0/507) 迷茫的小飞侠 2013-09-08 2013-09-16 11:09:37 by 迷茫的小飞侠
[ADF/Dal ] 介电常数 (0/395) chengy1008 2013-07-02 2013-07-24 06:57:16 by chengy1008
[ADF/Dal ] [已完结]ADF报错的处理 (0/570) gehenniubi 2013-07-23 2013-07-23 09:05:06 by gehenniubi
[ADF/Dal ] [已完结]ADF中，如何利用out文件得到你要的图 (1/542) qingeraaa 2013-06-26 2013-07-13 16:32:22 by 轩辕重出江湖
[ADF/Dal ] [已完结]ADF中的Band模块能算团簇的介电常数吗，怎么设置周期性？ (1/338) chengy1008 2013-07-04 2013-07-05 16:32:51 by 长风_破浪
[ADF/Dal ] [已完结]ADF如何计算旋轨耦合常数 (0/837) tangjia16888 2013-07-04 2013-07-05 15:31:53 by tangjia16888
[ADF/Dal ] [已完结]求助如何用ADF计算自旋轨道耦合常数 (1/1047) bingdieduwu 2013-06-11 2013-06-28 09:01:43 by tangjia16888
[ADF/Dal ] [已完结]ADF计算磷光辐射寿命 (0/492) tangjia16888 2013-06-20 2013-06-22 08:17:51 by tangjia16888
[ADF/Dal ] [已完结]ADF的态密度问题 (0/396) 轩辕重出江湖 2013-06-04 2013-06-04 10:52:47 by 轩辕重出江湖
[ADF/Dal ] [已完结]求助 请问有用ADF做过渡态搜索的嘛 (3/642) lonnek 2012-11-10 2013-06-03 05:37:30 by lonnek
[ADF/Dal ] ADF 的NBO是不是不能计算开壳层体系 (2/496) nilanle 2013-03-25 2013-05-30 13:11:37 by wunan1989
[ADF/Dal ] [已完结]有没有人会用ADFview做电子密度差图啊？求解？ (8/1353) wozecheng 2013-05-13 2013-05-23 09:50:12 by wozecheng
[ADF/Dal ] [已完结]ADF 消除虚频 (0/490) 轩辕重出江湖 2013-05-22 2013-05-22 08:43:32 by 轩辕重出江湖
[ADF/Dal ] [已完结]用ADF做富勒烯结构优化出错 (6/1130) ralfzhued 2013-05-07 2013-05-20 20:45:31 by 轩辕重出江湖
[ADF/Dal ] [已完结][关贴]求adf软件和licence (2/1119) lhb19882003 2013-05-13 2013-05-14 12:27:35 by lhb19882003
[ADF/Dal ] [已完结]TOTALENERGY和ZORA的问题 (4/991) 一抹秋红 2013-05-07 2013-05-09 08:40:43 by wangf44
[ADF/Dal ] [已完结]ADF电荷多重度的设置 (4/803) 一抹秋红 2013-04-23 2013-05-04 11:15:39 by 一抹秋红
[ADF/Dal ] [已完结]基于同一结构不同程序转化后的到的坐标不一样？求解...    ( 1 2 ) (10/724) 迷茫的小飞侠 2013-04-28 2013-05-02 16:46:47 by 迷茫的小飞侠
[ADF/Dal ] [已完结]急求ADF最新 license (0/598) chengy1008 2013-05-02 2013-05-02 09:49:57 by chengy1008
[ADF/Dal ] [已完结]ADF输入文件中，可以直接人为指定对称性吗？ (2/524) 素年锦时111 2013-04-20 2013-04-21 14:10:06 by 素年锦时111
[ADF/Dal ] [已完结]x-win调用adf求解 (1/419) 一抹秋红 2013-04-08 2013-04-09 00:18:05 by beefly
[ADF/Dal ] [已完结]ADF windows 版求助 (3/1156) 左边8399 2013-01-25 2013-04-03 07:26:15 by wntc
[ADF/Dal ] [已完结]态密度图中怎样确定费米能级 (0/3462) mmmy007 2013-03-18 2013-03-18 20:59:55 by mmmy007
[ADF/Dal ] [专家] 一个用ADF进行能量分解计算的例子 (5/2731) beefly 2011-05-04 2013-03-14 16:57:25 by lilachi
[ADF/Dal ] [已完结]ADF计算磷光的输入文件, (1/714) haiqin28 2013-01-29 2013-03-09 09:48:42 by 叉叉AND木木
[ADF/Dal ] [已完结]请问有谁做过 Charge diaplacement analysis 之后的CD曲线 (0/503) yanglina062 2013-03-08 2013-03-08 11:15:04 by yanglina062
[ADF/Dal ] [已完结]求ADF2012的demo license (2/536) yangmou 2013-01-12 2013-01-17 10:06:40 by lipeng87
[ADF/Dal ] 【求助】问个问题，ADF中TZP基组相当于高斯里的那个基组呢。 (3/956) loovfnd 2010-09-13 2013-01-14 18:55:33 by wozecheng
[ADF/Dal ] [已完结]怎么用dalton计算静电场下的分子偶极距 (0/309) zhangyujin 2012-12-21 2012-12-24 15:22:32 by zhangyujin
[ADF/Dal ] [已完结]几何优化问题 (0/323) wucx1234 2012-12-08 2012-12-08 17:23:48 by wucx1234
[ADF/Dal ] [已完结]ADF使用方法的视频 (3/1131) wucx1234 2012-10-03 2012-12-06 08:09:46 by wucx1234
[ADF/Dal ] [已完结]求助adf如何在画level的图中同时画出较大fragment的level (0/368) ljcy 2012-11-19 2012-11-19 13:27:44 by ljcy
[ADF/Dal ] [已完结]有关dalton程序的安装 (6/1185) 迷茫的小飞侠 2012-11-14 2012-11-19 12:41:36 by 迷茫的小飞侠
[ADF/Dal ] [已完结]ROSMO-RS模块计算汽化焓 (2/572) 一明法师 2012-09-25 2012-11-15 11:09:33 by 心仪天下
[ADF/Dal ] [已完结]ADF出错： not (one or all )processes have the file (0/529) wozecheng 2012-11-07 2012-11-07 20:30:50 by wozecheng
[ADF/Dal ] [已完结]如何用ADF对已经优化的结构进行消频？ (4/694) adfcation 2012-10-16 2012-11-03 13:08:44 by 喻儿在线
[ADF/Dal ] [已完结][关贴]怎样将MS中的分子导入putty进行计算，绝对新手急急急 (1/371) 幸运兔 2012-10-25 2012-10-29 20:55:08 by mingtao
[ADF/Dal ] [已完结]dalton运行报错 (0/386) 迷茫的小飞侠 2012-10-19 2012-10-19 23:12:48 by 迷茫的小飞侠
[ADF/Dal ] 【分享】ADF band版块介绍 (12/1626) yjr 2009-05-20 2012-10-17 19:02:39 by kaletoppest
[ADF/Dal ] [已完结]优化一个结构，Co+苯环，请问用什么方法能做出来 (1/548) scpchaos 2012-10-16 2012-10-16 15:45:27 by zhongshidaxt
[ADF/Dal ] [已完结]ERROR DETECTED: kfopvr: Attempt to open unknown variable : Hybrid Exen SCF (0/884) wucx1234 2012-10-12 2012-10-12 10:40:34 by wucx1234
[ADF/Dal ] [已完结][关贴]求linux版2012的ADF安装教程    ( 1 2 ) (14/2213) wozecheng 2012-09-12 2012-10-12 10:09:38 by wozecheng
[ADF/Dal ] [已完结][关贴]ADF 中t21文件如何转化为文本格式可读？ (2/738) gongyiweimu 2012-10-10 2012-10-11 06:55:17 by nh13
[ADF/Dal ] [已完结]ADF中的片段求教 (6/790) wozecheng 2012-08-28 2012-10-09 12:32:01 by yjr
[ADF/Dal ] [已完结]请问用ADF计算得到的HOMO和LUMO轨道的占据数反了怎么办，我是新手，刚开始计算    ( 1 2 ) (11/1444) wucx1234 2012-09-26 2012-10-07 11:11:53 by wucx1234
[ADF/Dal ] [已完结]adf做片段分析的输出文件，关于SFO gross populations，如何查找数据和分析 (1/502) 乐逍遥741 2012-02-16 2012-09-27 09:14:29 by yjr
[ADF/Dal ] [已完结]求助ADF中ROSMO-RS模块计算气化焓问题 (0/332) 一明法师 2012-09-21 2012-09-23 19:36:11 by 一明法师
[ADF/Dal ] [已完结]ADF下载不了 (6/653) lei234 2012-05-22 2012-09-14 17:03:21 by wozecheng
[ADF/Dal ] [已完结][关贴]DALTON aborted because wave function not converged！dalton计算出错 (0/378) dinghj2010 2012-09-04 2012-09-06 19:02:34 by dinghj2010
[ADF/Dal ] [已完结][关贴]求助 dalton 小测试 (0/340) mplanck 2012-08-28 2012-08-30 19:21:26 by mplanck
[ADF/Dal ] [已完结][关贴]新手学习Dalton，如何编写输入文件？ (4/806) 迷茫的小飞侠 2012-08-27 2012-08-29 18:51:07 by daniell251
[ADF/Dal ] [已完结]NBO分析 (8/1443) mmmy007 2012-08-07 2012-08-22 17:06:24 by 婷婷-啦啦
[ADF/Dal ] [已完结]ADF的EDA分析如何做the gross population of the fragment orbitals (3/762) 乐逍遥741 2012-02-09 2012-08-17 19:53:16 by 乐逍遥741
[ADF/Dal ] [已完结]继续adf (3/633) mmmy007 2012-08-05 2012-08-08 20:12:59 by qlihytc
[ADF/Dal ] [已完结]帮忙做DFT caclulation (0/444) lhjxgy 2012-08-05 2012-08-05 22:02:19 by lhjxgy
[ADF/Dal ] [已完结]怎样设置只显示σ-键或π-键 (0/304) mmmy007 2012-07-31 2012-07-31 15:43:23 by mmmy007
[ADF/Dal ] [已完结]ADF中可以进行福井函数的计算吗 如何操作 谢谢！ (2/619) wyg_cumt 2012-07-09 2012-07-21 10:32:45 by wyg_cumt
[ADF/Dal ] [已完结]怎样画分子轨道图 (3/1661) mmmy007 2012-06-23 2012-07-17 14:42:21 by lipeng87
[ADF/Dal ] [已完结]ADF在linux下安装的并行设置 (8/1396) 贺仪 2012-06-24 2012-06-27 21:54:54 by 贺仪
[ADF/Dal ] [已完结]adf：没有那个文件或目录 十万火急求助！ (2/456) mmmy007 2012-05-24 2012-06-20 09:04:51 by mmmy007
[ADF/Dal ] [已完结]求ADF可视化界面 (4/791) grape_0805 2012-05-30 2012-06-05 15:29:08 by wntc
[ADF/Dal ] [已完结]ADF中不同原子使用不同方法的语法怎么写啊 (1/409) yhpan 2012-05-30 2012-05-31 10:45:08 by nyzhaoyin
[ADF/Dal ] [已完结]怎样安装ADF2007.01版本的？ (2/492) mmmy007 2012-05-25 2012-05-29 09:05:53 by mmmy007
[ADF/Dal ] [已完结]我的构型两个做出来HOMO LUMO轨道图怎么这种情况。求解释    ( 1 2 ) (11/1762) 婷婷-啦啦 2012-05-07 2012-05-23 17:06:12 by lxmn
[ADF/Dal ] [已完结]求助：关于ADF计算分子NBO (4/651) lipeng87 2011-06-21 2012-05-22 23:01:23 by manny
[ADF/Dal ] 【分享】ADF2009 Linux and windows；ADF2010.02 windows    ( 1 2 3 4 5 ) (评阅+5) (42/4311) wuy069 2009-12-25 2012-04-24 08:10:46 by wangchenju
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