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[热点] 国自然申请面上模板最新2026版出了吗? lice_1987 2026-01-19 刚刚
[Siesta& ] [关贴]【其他】ATK中的Electron Density的物理意义是什么? (0/217) 思想家 2010-10-26 2010-10-26 10:42:40 by 思想家
[Siesta& ] 【求助】siesta的fdf文件的编辑问题 (5/1056) maomao-666 2010-10-21 2010-10-25 18:06:44 by ifmc1234
[Siesta& ] 【求助】ATK可否用于晶胞声子计算,谢谢! (4/842) luckyheizi 2010-10-22 2010-10-23 12:57:33 by zhangguangping
[Siesta& ] 【求助】利用ATK得到的传输谱怎么分析,谢谢! (2/564) luckyheizi 2010-10-20 2010-10-22 16:11:57 by fan159
[Siesta& ] 【求助】请教siesta可否计算磁性体系的介电极化呢? (2/848) identation 2010-09-25 2010-10-22 15:11:12 by zhangguangping
[Siesta& ] 【求助】siesta可不可以计算单重态 三重态 如何计算? (6/875) psichologist 2010-10-18 2010-10-20 22:45:22 by psichologist
[Siesta& ] 【求助】谁有siesta和transiesta的中文教程啊 (3/2220) 小木虫于 2010-10-20 2010-10-20 13:13:56 by bingmou
[Siesta& ] 【求助】ATK计算transmission的时候为什么有时候大于1?    ( 1 2 ) (13/2172) eastnobil 2010-01-08 2010-10-14 16:26:51 by daisyggg
[Siesta& ] 【求助】ATK计算中,中间散射区的graphene需要双层,怎么建立?谢谢! (7/972) liuhua212 2010-09-30 2010-10-14 09:58:30 by liuhua212
[Siesta& ] 【求助】有没有成功重复出别人文献的小虫    ( 1 2 3 4 5 ) (46/2574) fan159 2010-10-08 2010-10-13 11:53:21 by iamddba
[Siesta& ] 【求助】请问ATK的价格是多少    ( 1 2 ) (10/2275) dziqiang 2010-10-08 2010-10-12 13:25:05 by 顺水
[Siesta& ] 【求助】关于用ATK优化双电极模型,谢谢! (3/1383) luckyheizi 2010-09-29 2010-10-12 09:52:39 by iamddba
[Siesta& ] 【求助】编译siesta    ( 1 2 ) (12/1376) 小木虫于 2010-10-09 2010-10-11 13:03:36 by 小木虫于
[Siesta& ] 【求助】B80富勒烯有磁性吗?结构优化需要考虑自旋吗? (5/866) zhaofang 2010-09-24 2010-10-10 21:04:13 by mika
[Siesta& ] 【求助】关于利用ATK计算能带结构,谢谢! (1/380) luckyheizi 2010-10-09 2010-10-10 15:06:00 by zhangguangping
[Siesta& ] 【其他】vnl和atk (6/1023) hedge 2010-04-01 2010-10-09 22:04:11 by xuanzhang
[Siesta& ] 【求助】ATK怎么算voltage drop啊? (4/553) panjinbo87 2010-10-08 2010-10-09 17:01:16 by qzhaosdu
[Siesta& ] 【求助】关于周期性结构矩阵元构建细节【完结】 (评阅+3) (3/1332) zhangguangping 2010-10-04 2010-10-06 09:23:35 by zhangguangping
[Siesta& ] 【求助】siesta的test里面的文件怎么运行 (1/574) vaspstudy 2010-10-01 2010-10-02 17:32:06 by zhangguangping
[Siesta& ] 【求助】请教在ATK中怎样使用自己的或者Siesta的赝势 (4/1353) zhangguangping 2010-09-28 2010-09-30 10:04:07 by zhangguangping
[Siesta& ] 【求助】ATK中的Molecular Energy Spectrum参数设置问题,谢谢! (6/966) luckyheizi 2010-09-20 2010-09-30 09:10:01 by kaypu
[Siesta& ] 【求助】atk中输出的数据的精度问题【完结】 (4/805) zhangguangping 2010-08-01 2010-09-29 17:27:30 by zhangguangping
[Siesta& ] 【求助】优化散射区和中间区域的原子 (9/1314) zhangying09 2010-06-01 2010-09-29 16:26:19 by youngjfly
[Siesta& ] 【求助】运行transiesta出现的问题    ( 1 2 ) (11/834) yashumimi 2010-09-27 2010-09-29 15:33:52 by vv_china
[Siesta& ] 【其他】ATK 用CLUSTER 计算如何提交作业啊 (金币≥1)(9/93) 思想家 2010-08-20 2010-09-29 14:47:25 by youngjfly
[Siesta& ] 【求助】siesta求解 (2/434) maomao-666 2010-09-25 2010-09-27 08:49:38 by maomao-666
[Siesta& ] 【求助】atk中布里渊区选点问题 (3/725) kaypu 2010-09-15 2010-09-27 07:43:06 by wring9005
[Siesta& ] 【求助】atk中自定义电极 (3/388) kaypu 2010-09-25 2010-09-26 21:08:14 by kaypu
[Siesta& ] 【求助】ATK中双电极模型电极与分子之间的距离设置。 (4/1323) luckyheizi 2010-09-01 2010-09-26 20:25:41 by wei.ji
[Siesta& ] 【求助】O的单线态和三线态 (6/1789) mika 2010-09-25 2010-09-26 10:14:47 by mika
[Siesta& ] 【求助】利用ATK计算Bandstructure时如何设置K点的大小,谢谢! (4/1033) luckyheizi 2010-09-25 2010-09-25 19:38:05 by zhangguangping
[Siesta& ] 【求助】the basis set superposition errors (BSSE)是什么意思? (3/801) mika 2010-09-25 2010-09-25 15:24:22 by zhangguangping
[Siesta& ] 【求助】安装siesta3.0出错:segmentation violation signal raised。请高手指教 (8/1688) sjzhbkdlxy 2010-09-16 2010-09-24 22:22:08 by sjzhbkdlxy
[Siesta& ] 【求助】用ATK计算B80 fullerene的能谱问题 (6/1104) zhaofang 2010-09-23 2010-09-24 21:45:24 by 椰浆饭
[Siesta& ] 【求助】用ATK算传输谱却出现了负值,一般是什么原因? (3/769) qing-fang 2010-09-11 2010-09-24 14:25:51 by wring9005
[Siesta& ] 【求助】用siesta计算出现的问题 (3/834) caqhero 2010-09-23 2010-09-23 21:35:49 by caqhero
[Siesta& ] 【求助】TRANSIESTA计算输运和gDFTB有什么不同? (1/617) wushuang7523 2010-09-23 2010-09-23 20:15:10 by ifmc1234
[Siesta& ] 【求助】siesta优化分子结构,出现虚频!! (5/1222) smartly 2010-09-16 2010-09-21 18:15:01 by smartly
[Siesta& ] 【求助】ATK 中关于态密度的问题 (7/1428) kaypu 2010-06-21 2010-09-21 07:57:17 by kaypu
[Siesta& ] 【求助】新手求教,用siesta计算nanoribbon能带 (0/474) luxmundi 2010-09-20 2010-09-20 20:43:25 by luxmundi
[Siesta& ] 【求助】siesta (2/494) zhangzhaojin 2010-09-17 2010-09-20 10:08:47 by zhangzhaojin
[Siesta& ] 【求助】输运过程中的微观机制 (3/736) kaypu 2010-09-19 2010-09-19 21:13:43 by 椰浆饭
[Siesta& ] 【求助】siesta中的赝势的问题 (2/531) huangshp 2010-05-12 2010-09-17 11:11:45 by zhangguangping
[Siesta& ] 【求助】求个ATK2009 win的 licence    ( 1 2 3 ) (21/1493) jiewei 2010-01-20 2010-09-17 10:30:34 by bluce
[Siesta& ] 【求助】ATK计算双电极体系的总能量    ( 1 2 ) (11/1909) zhaicatty 2010-09-09 2010-09-17 09:48:39 by zhaicatty
[Siesta& ] 【求助】如何画体系态密度? (1/368) wutingting5283 2010-09-16 2010-09-17 09:00:58 by wutingting5283
[Siesta& ] 【求助】优化几何构型问题 (3/704) soulsai 2010-06-18 2010-09-15 20:38:11 by 思想家
[Siesta& ] 【求助】我在VNL 已经建立好模型想放到DOML3中区优化。。要怎么导入到DOMO (2/366) 思想家 2010-09-15 2010-09-15 20:33:38 by 思想家
[Siesta& ] 【求助】求ATK10.8的详细说明书 (3/465) hedge 2010-09-15 2010-09-15 16:32:33 by wuli8
[Siesta& ] 【求助】atk说明书中LDOS问题 (4/1045) kaypu 2010-09-09 2010-09-15 12:08:57 by kaypu
[Siesta& ] [求助]什么结构可以在VNL 中计算能带和DOS    ( 1 2 ) (16/1956) 思想家 2010-09-10 2010-09-14 20:24:32 by 椰浆饭
[Siesta& ] 【求助】*.RHO文件中的负值是什么意义? (1/659) zhanglei3409 2010-09-13 2010-09-14 08:31:33 by xhsh
[Siesta& ] 【求助】弱弱问一下,bias window 怎么定义呢 (评阅+1) (3/587) wchen 2010-09-07 2010-09-13 16:03:40 by ifmc1234
[Siesta& ] 【求助】atk中双电极求出中间分子的态密度方法 (2/351) kaypu 2010-09-12 2010-09-13 08:55:10 by zhangguangping
[Siesta& ] 【求助】ATK中第一性和NGF是怎么结合起来的    ( 1 2 3 ) (22/2107) xiaomizz22 2010-05-06 2010-09-12 09:40:02 by 椰浆饭
[Siesta& ] 【求助】用2010.8算I-V曲线怎么算啊? (4/1133) qing-fang 2010-09-01 2010-09-11 19:11:07 by qing-fang
[Siesta& ] 【求助】双电极系统的态密度与能级关系 (4/1040) kaypu 2010-09-08 2010-09-10 07:54:02 by kaypu
[Siesta& ] 【求助】siesta计算phonon,报错如下,大家帮忙 (1/442) smartly 2010-09-09 2010-09-09 15:12:59 by ifmc1234
[Siesta& ] 【求助】atk中电流线性问题 (评阅+1) (2/272) kaypu 2010-09-07 2010-09-07 19:58:02 by fan159
[Siesta& ] 【求助】一些关于atk中态密度分析的文献 (1/412) kaypu 2010-09-06 2010-09-06 18:55:24 by panjinbo87
[Siesta& ] 【求助】atk中态密度图 (2/391) kaypu 2010-08-23 2010-09-06 11:00:24 by gaottgougou
[Siesta& ] 【求助】vnl中NanoLanguage Scripter里的Geometric Constraints怎么设置 (1/315) chyuhang 2010-09-02 2010-09-03 17:55:44 by fan159
[Siesta& ] 【求助】mulliken population and exchange splitting (0/429) zhanglei3409 2010-08-30 2010-08-30 09:58:43 by zhanglei3409
[Siesta& ] 【求助】VNL建立模型中如何确定坐标 (2/317) 思想家 2010-08-26 2010-08-29 14:49:49 by zhangguangping
[Siesta& ] 【求助】关于ATK输出 (2/549) sw-2384 2009-10-18 2010-08-28 23:37:34 by hklulu
[Siesta& ] 【求助】atk SE 中,一句命令的意思 (3/611) fangyongxinxi 2009-10-10 2010-08-28 23:35:46 by hklulu
[Siesta& ] 【求助】如何增加k点采样密度 (0/387) yashumimi 2010-08-28 2010-08-28 17:23:01 by yashumimi
[Siesta& ] 【求助】windows下atk的命令行模式怎么用【完结】 (1/760) zhangguangping 2010-08-26 2010-08-27 10:09:29 by zhangguangping
[Siesta& ] 【求助】化学势和电子转移 (1/1104) kaypu 2010-08-26 2010-08-26 19:31:04 by zhangguangping
[Siesta& ] 【求助】incident state (1/249) kaypu 2010-08-20 2010-08-21 20:28:20 by 椰浆饭
[Siesta& ] 【求助】ATK 计算800个原子的脚本 (5/677) lxmn 2010-06-09 2010-08-19 20:14:23 by 328756249
[Siesta& ] 【求助】ATK WINDOWS怎么并行 (2/333) soulsai 2010-06-15 2010-08-19 20:12:04 by 328756249
[Siesta& ] 【求助】优化出错 (1/300) smartly 2010-08-19 2010-08-19 16:08:55 by zhangguangping
[Siesta& ] 【求助】siesta怎样计算态密度 (8/2342) dalongmao 2009-08-31 2010-08-17 10:45:19 by fengshiquan
[Siesta& ] 【求助】siesta优化的问题 (8/1790) maomao-666 2010-04-08 2010-08-17 10:28:33 by fengshiquan
[Siesta& ] 【求助】用siesta计算时,建模的块体晶格常数如何确定 (8/1598) smartly 2010-08-06 2010-08-17 10:12:23 by fengshiquan
[Siesta& ] 【求助】ATK计算时被中断可否接着算,谢谢! (2/509) luckyheizi 2010-08-14 2010-08-15 09:13:53 by hanyi89
[Siesta& ] 【求助】大家帮忙分析下错误原因,谢谢! (9/920) luckyheizi 2010-08-13 2010-08-15 08:55:01 by zhangguangping
[Siesta& ] 【求助】两种break-junction的区别【完结】 (7/1229) zhangguangping 2010-06-28 2010-08-14 09:51:16 by zhangguangping
[Siesta& ] 【求助】siesta运行需要.psf文件吗 (4/1114) xmc212 2010-08-08 2010-08-13 21:56:29 by 椰浆饭
[Siesta& ] 【求助】ATK中的晶胞边界问题,非常感谢! (1/378) luckyheizi 2010-08-11 2010-08-13 21:45:28 by 椰浆饭
[Siesta& ] 【求助】如何避免在windows版ATK中内存溢出 (2/555) xuqing_qiang 2010-08-10 2010-08-10 14:20:09 by zhangguangping
[Siesta& ] 【求助】求助transiesta-c和atk的区别 (2/681) hughluhan 2010-07-18 2010-07-31 13:28:42 by hughluhan
[Siesta& ] 【求助】用siesta计算六角晶格的能带结构(有新信息,欢迎讨论) (4/1267) springxa 2010-07-27 2010-07-30 16:48:44 by springxa
[Siesta& ] 【求助】Harmless for Gamma calculations (5/487) 等待的心 2010-07-27 2010-07-28 15:27:54 by condensed
[Siesta& ] 【求助】tbtrans错误怎么办    ( 1 2 ) (10/1760) redskywei 2010-06-12 2010-07-25 22:56:38 by redskywei
[Siesta& ] 【求助】ATK 2010.8    ( 1 2 ) (11/1238) qing-fang 2010-07-12 2010-07-24 08:33:31 by fan159
[Siesta& ] 【求助】Siesta 原子弛豫很慢 (1/624) lionz 2010-07-23 2010-07-24 00:56:14 by hongjw04
[Siesta& ] 【求助】siesta中transiesta模块的收敛问题    ( 1 2 ) (13/2239) redskywei 2010-05-29 2010-07-23 15:33:18 by redskywei
[Siesta& ] 【求助】运行出错 (1/923) mermaid1128 2010-07-21 2010-07-23 08:50:11 by mermaid1128
[Siesta& ] 【求助】siesta如何设置外加电场? (6/1245) hw45888792 2010-07-07 2010-07-22 20:48:27 by hw45888792
[Siesta& ] 【求助】有谁能做输运体系的DOS向轨道和T向轨道的投影分析。 (5/891) zhangguangping 2010-07-21 2010-07-22 12:02:43 by 椰浆饭
[Siesta& ] 【求助】关于STM的扫描结果【完结】 (4/974) zhangguangping 2010-06-28 2010-07-22 09:24:01 by zhangguangping
[Siesta& ] 【求助】transiesta中关于轨道的问题    ( 1 2 ) (18/1782) zhangguangping 2010-07-06 2010-07-21 08:56:45 by zhangguangping
[Siesta& ] 【求助】求siesta2.0或3.0的操作说明书 (8/1472) ybhhub 2010-01-28 2010-07-20 21:09:54 by zhangguangping
[Siesta& ] 【求助】siesta3.0并行成功安装后不能并行的问题    ( 1 2 ) (15/1505) 雁儿霏霏 2010-04-20 2010-07-20 18:06:07 by zhangguangping
[Siesta& ] 【求助】ATK计算电荷转移 (1/381) kaypu 2010-07-19 2010-07-19 17:17:10 by xhsh
[Siesta& ] 【求助】求助调用ATK (1/280) maomao-666 2010-07-18 2010-07-19 07:56:04 by xhsh
[Siesta& ] 【求助】求助siesta的Ordern方法不能收敛的问题 (4/995) caqhero 2010-07-13 2010-07-17 08:06:32 by wring9005
[Siesta& ] 【求助】transiesta计算中计算LDOS和PDOS的问题【完结】 (0/782) zhangguangping 2010-07-13 2010-07-13 18:55:34 by zhangguangping
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