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[热点] 存款400万可以在学校里躺平吗 潇潇雨子规啼 2026-01-19 刚刚
[Siesta& ] [已完结]ATK可以模拟材料的输运性质和温度的关系吗?    ( 1 2 ) (17/1965) zhuyu38 2015-03-20 2016-04-03 07:46:03 by wot19920302
[Siesta& ] [已完结]siesta能算自旋轨道耦合吗? (0/409) nano_dft 2016-04-02 2016-04-02 09:10:23 by nano_dft
[Siesta& ] 大家能谈谈PBEsol泛函吗 (4/1766) yangjun102 2015-09-01 2016-03-31 17:34:45 by yjwyjwyjw
[Siesta& ] [已完结]siesta4.0,采用VDW交换关联泛函计算报错 (0/598) nano_dft 2016-03-29 2016-03-29 11:20:19 by nano_dft
[Siesta& ] [已完结]反应焓可以用形成能代替吗    ( 1 2 ) (10/1555) xiongxiong5712 2016-03-19 2016-03-26 22:07:32 by luzihen
[Siesta& ] [已完结]ATK可以计算电导吗? (1/1060) 星期五的天气 2015-07-09 2016-03-23 08:03:27 by Ireson
[Siesta& ] 【求助】安装intel的数据库mkl,输入许可文件地址后,提示无效 (5/2406) bjwang 2010-07-22 2016-03-20 19:58:24 by chenkunkun
[Siesta& ] [已完结]siesta自洽完成以后无法输出PDOS。 (0/381) nano_dft 2016-03-17 2016-03-17 15:56:02 by nano_dft
[Siesta& ] ATK&VNL使用教程的视频 (22/8876) valenhou001 2013-04-15 2016-03-07 07:49:46 by lacyfxq
[Siesta& ] [已完结]siesta态密度分析 (5/1347) yangxuezhang 2012-12-18 2016-03-01 07:41:41 by Phony-Silvia
[Siesta& ] [已完结]请教siesta是否可以进行HSE计算? (2/700) xiongxiong5712 2016-02-18 2016-02-20 13:59:56 by ifmc1234
[Siesta& ] [已完结]ATK的Mulliken population计算过程!! (1/506) re2013xt 2016-01-24 2016-01-24 17:46:17 by re2013xt
[Siesta& ] [已完结]SIESTA中怎样做TDOS图? (4/1042) 云端星雨 2013-09-07 2016-01-18 14:23:27 by Phony-Silvia
[Siesta& ] [已完结]想配台专门运行ATK的电脑,具体什么配置会比较合适? (0/417) rhinezju 2016-01-17 2016-01-17 08:58:47 by rhinezju
[Siesta& ] [已完结]求Atomistix ToolKit最新license (1/1090) 371131990 2016-01-14 2016-01-14 22:07:33 by guohuazhong
[Siesta& ] [已完结]ATK中的非共线磁矩计算 (0/498) gradius 2016-01-14 2016-01-14 21:35:06 by gradius
[Siesta& ] [已完结]新人求助安装siesta (3/924) yiwuzhuxiang 2016-01-11 2016-01-14 14:49:18 by yiwuzhuxiang
[Siesta& ] [已完结]新人求助 (1/502) 子水水 2016-01-05 2016-01-06 13:32:26 by charleslian
[Siesta& ] [已完结][关贴]新人求助 (0/241) 子水水 2016-01-05 2016-01-05 17:19:29 by 子水水
[Siesta& ] [已完结][关贴]新人求助 (0/352) 大红帽 2016-01-05 2016-01-05 17:09:32 by 大红帽
[Siesta& ] [已完结]锯齿形MoS2末端加氢后进行对氢部分优化出现问题。 (0/459) z2xw56 2015-12-28 2015-12-28 19:47:07 by z2xw56
[Siesta& ] [已完结]碳纳米管输运性质的研究 (0/470) xiaochabei0 2015-12-21 2015-12-21 11:20:44 by xiaochabei0
[Siesta& ] [已完结]求助!吸附磁性分子,计算输运不收敛 (0/384) liucan刘灿 2015-12-12 2015-12-12 11:15:21 by liucan刘灿
[Siesta& ] [已完结]谁会用ATK算键能的 怎么算 求具体步骤 (0/489) 蜜枣舟舟 2015-12-09 2015-12-09 22:20:07 by 蜜枣舟舟
[Siesta& ] [已完结]siesta模拟H2O中总能量与晶格常数之间的关系,我是初学者,谢谢帮助!附有图片 (5/1271) 刘雅青1990 2015-11-26 2015-12-09 18:43:57 by 咕噜噜917
[Siesta& ] [已完结]我向求助关于siesta模拟H2O中总能量与晶格常数之间的关系,我是初学者,谢谢帮助! (4/899) 刘雅青1990 2015-11-25 2015-12-02 09:52:25 by 刘雅青1990
[Siesta& ] 【求助】关于transiesta的编译和运行    ( 1 2 ) (12/2174) yashumimi 2010-08-26 2015-12-02 06:54:44 by 刘雅青1990
[Siesta& ] transiesta计算运行出错 (4/2025) 漂浮的萸 2011-05-16 2015-11-28 09:31:43 by 诗景辰
[Siesta& ] ifort(mpiifort)并行编译siesta (评阅+3) (9/2878) lemonare 2012-05-29 2015-11-27 22:16:10 by 潇潇枫竹林
[Siesta& ] [已完结]Siesta结构优化时出现 Error in Cholesky factorisation in cdiag (3/1420) oranges 2015-11-21 2015-11-25 18:38:07 by zhangguangping
[Siesta& ] [已完结]关于siesta弛豫的两个问题 (2/638) 赵奇一 2015-11-11 2015-11-22 17:59:54 by lu_wei07
[Siesta& ] [已完结]请教一下关于siesta优化层状体系的问题 (3/644) 赵奇一 2015-11-07 2015-11-22 15:50:54 by zhangguangping
[Siesta& ] 【分享】SIESTA 国外教程 (14/4332) 贺仪 2011-02-28 2015-11-21 09:31:49 by 785524519
[Siesta& ] [已完结]安装结束后出现一些问题,找不到原因,求帮助 (0/784) sujian_qq 2015-11-05 2015-11-05 00:25:09 by sujian_qq
[Siesta& ] 装好了siesta2.0.2 ,不知道大家是怎么开始学这个软件的? (5/1474) 东尼大周 2014-11-09 2015-10-28 18:20:17 by xzjlms
[Siesta& ] [已完结]siesta计算得到介电函数虚部后如何得到实部?    ( 1 2 ) (11/1263) xiongxiong5712 2015-09-25 2015-10-09 11:25:23 by xiongxiong5712
[Siesta& ] [已完结]关于使用siesta计算ordern的参数设置和问题解决 (4/1129) 小明好开心 2015-09-24 2015-09-25 15:12:16 by 小明好开心
[Siesta& ] [已完结]Transiesta/TBTrans计算8ZGNR的透射系数不正确 (6/2542) tsh8167 2013-03-14 2015-09-22 18:18:36 by M201470141
[Siesta& ] [已完结][关贴]VNL-ATK2014安装报错 (3/1276) 不做伸手党 2015-05-24 2015-08-27 12:16:48 by lion_tiger
[Siesta& ] [已完结]siesta怎样计算光学性质 (0/429) xiongxiong5712 2015-08-17 2015-08-17 16:42:54 by xiongxiong5712
[Siesta& ] [已完结]MS优化的SWNT(8,8)如何导入ATK,进行输运性质的计算? (2/824) lisi2007 2013-04-28 2015-08-15 06:02:44 by xiaochabei0
[Siesta& ] 【求助】关于碳纳米管建模的问题    ( 1 2 ) (12/2737) leafting 2010-05-25 2015-08-15 05:22:54 by xiaochabei0
[Siesta& ] LiF能带结构计算的困惑 (2/1869) ewan 2015-08-03 2015-08-14 22:51:30 by 卡开发发
[Siesta& ] 请问VNL和ATK有啥区别呢?VNL=ATK+图形界面?    ( 1 2 ) (12/1770) 河外星系1 2015-08-02 2015-08-03 11:07:52 by 河外星系1
[Siesta& ] [已完结]求In.psf的PBE赝势 (2/787) hw45888792 2015-07-29 2015-07-30 01:17:22 by hw45888792
[Siesta& ] 关于石墨烯双氢饱合的脚本-Sp3(基于ATK官网脚本改写) (2/597) dagewane63 2013-12-27 2015-07-27 19:59:57 by luoying1
[Siesta& ] [已完结]ubuntu 系统安装jave 有问题 (0/316) physuser 2015-07-24 2015-07-24 15:01:46 by physuser
[Siesta& ] One Cracker for 11.2.3 (13/1157) zhangguangping 2012-02-28 2015-07-13 08:14:18 by onion2440
[Siesta& ] [已完结]跪求Smeagol,肯请各位大神 (1/548) snoworange 2015-03-11 2015-07-10 06:43:28 by cwzhn
[Siesta& ] ATK 如何建立这几种分子模型啊 (10/2415) ghostsyd 2012-07-30 2015-07-07 10:22:59 by 531072740
[Siesta& ] [已完结]使用ATK软件计算IV曲线意外中断了怎么办? (0/715) whyaquarius 2015-07-06 2015-07-06 07:56:12 by whyaquarius
[Siesta& ] 【求助】在构造电极时, 下面这是什么意思? (19/1596) qnsyhanjiu 2011-03-14 2015-06-22 06:46:00 by 梦逍遥1989
[Siesta& ] position constraints (8/682) ylzhao 2015-05-20 2015-06-12 12:59:40 by ylzhao
[Siesta& ] 【求助】siesta并行不能计算 (7/1375) wanglianli136 2010-12-02 2015-05-18 16:53:22 by hsj295737
[Siesta& ] 【求助】LDOS 和PDOS的区别    ( 1 2 ) (13/7177) zhangying09 2010-06-25 2015-05-11 08:11:59 by sungjen
[Siesta& ] [已完结]NiO 单胞坐标以及NiO(111)面的建立-siesta或者高斯 (6/966) minmin_0082003 2015-05-07 2015-05-07 17:27:20 by 卡开发发
[Siesta& ] [已完结]Siesta小鸟求助老鸟,这几个参数都是干什么的? (2/648) 甲斐之虎 2015-04-23 2015-04-24 15:15:19 by 甲斐之虎
[Siesta& ] [已完结]咳咳,初学siesta,请教各位前辈几个问题? (4/1049) 奔跑的爷们 2015-04-23 2015-04-24 15:06:51 by 奔跑的爷们
[Siesta& ] [已完结]求SIESTA算例,资料 (0/725) 奔跑的爷们 2015-04-21 2015-04-21 22:44:19 by 奔跑的爷们
[Siesta& ] [已完结]siesta安装出错,求高人帮忙安装!!!!!!!!! (1/1443) fangzide 2015-04-20 2015-04-20 15:25:23 by guohuazhong
[Siesta& ] [已完结]超晶胞组建 (0/566) huanghuiting 2015-04-17 2015-04-17 16:02:01 by huanghuiting
[Siesta& ] [已完结]siesta 自带例子结果的问题 (3/733) gengle 2015-04-14 2015-04-14 20:02:50 by KalaShayminS
[Siesta& ] 有人用过Octopus pseudopotential generator网页产生赝势吗? (8/1356) bjwang 2011-09-24 2015-03-25 16:29:33 by zhouxingping
[Siesta& ] [已完结]请教siesta编译“Error in opening the compiled module file”错误问题 (6/1720) 雁儿霏霏 2014-12-07 2015-03-24 14:55:10 by chenweiguang
[Siesta& ] [已完结]Copper不同晶界界面对电子输运的影响, (3/778) 天地逍遥 2012-07-30 2015-03-24 12:48:44 by will_123
[Siesta& ] [已完结]Ga的LDA赝势文件求助 (1/626) xiongxiong5712 2014-11-20 2015-03-20 18:24:28 by vv_china
[Siesta& ] [已完结]siesta安装依赖软件求助 (1/514) kobebry80 2015-03-03 2015-03-06 14:42:26 by zhaorongfa
[Siesta& ] [已完结]Siesta 3.1编译出错,按照张老师的视频进行的,麻烦大家帮帮忙,谢谢。 (4/1378) huangpu2009 2013-04-02 2015-02-07 18:53:23 by ouyangyulou
[Siesta& ] [已完结]siesta 优化出现问题 (0/765) jiji851 2015-02-05 2015-02-05 19:40:32 by jiji851
[Siesta& ] [已完结]运行denchar的时候无法读取输入坐标 (1/544) libiao1990 2015-02-02 2015-02-03 10:31:05 by libiao1990
[Siesta& ] SIESTA scf不收敛,怎么办? (5/2410) smartly 2011-02-25 2015-01-24 18:55:49 by xwu10
[Siesta& ] [已完结]关于结构优化 (6/1267) desperadp 2015-01-18 2015-01-21 10:55:43 by 孙远慧
[Siesta& ] [已完结]ADF试用时间到期的问题 (0/462) 草鱼xixi 2015-01-16 2015-01-16 11:44:48 by 草鱼xixi
[Siesta& ] [已完结]siesta可以计算VBM and CBM orbitals吗? (1/570) xiongxiong5712 2015-01-14 2015-01-16 10:38:53 by y1ding
[Siesta& ] [已完结]TAK计算体系不收敛问题 (0/417) zhangwq1919 2015-01-05 2015-01-05 21:58:29 by zhangwq1919
[Siesta& ] 用SIESTA里的atom生成W赝势遇到奇怪问题 (3/692) zhaoyue_ucla 2014-12-05 2014-12-25 17:10:05 by ouczhouyi
[Siesta& ] [已完结]siesta2.0.2版本下计算自带的fdf文件出现下面的这些东西,刚接触,真心求指导! (6/907) 东尼大周 2014-12-14 2014-12-24 15:48:28 by 东尼大周
[Siesta& ] transiesta 计算前的结构优化 (5/1426) newton3915 2014-12-14 2014-12-24 10:32:01 by 584931986
[Siesta& ] [已完结]请教siesta_windows版详细的运行步骤! (2/949) iamlee 2014-12-19 2014-12-20 00:08:12 by iamlee
[Siesta& ] [已完结]关于siesta的一些幼稚问题 (5/972) 东尼大周 2014-12-01 2014-12-14 19:46:58 by 东尼大周
[Siesta& ] [已完结](求大神)SIESTA %block Zmatrix 疑问 (2/980) lanlanwa9002 2014-11-30 2014-12-11 11:41:10 by lanlanwa9002
[Siesta& ] 【求助】siesta计算中,如何进行BSSE修正? (9/3397) tailor 2010-09-06 2014-12-02 09:25:05 by valenhou001
[Siesta& ] [已完结]Siesta编译没有报错,但是一运行就出问题 (6/994) newton3915 2014-11-27 2014-11-29 10:20:20 by newton3915
[Siesta& ] 介绍ATK 13.8新功能的四个视频 (10/2079) valenhou001 2013-11-28 2014-11-29 07:46:28 by valenhou001
[Siesta& ] [已完结]siesta 优化石墨结构 (2/771) newton3915 2014-11-23 2014-11-24 22:59:35 by newton3915
[Siesta& ] 【求助】Total energy 是什么的能量 (5/2118) 思想家 2010-09-11 2014-11-17 19:40:34 by zmrright
[Siesta& ] [已完结]结果与文献不相符,是哪里出问题? (0/609) joyce79928 2014-11-16 2014-11-16 20:19:34 by joyce79928
[Siesta& ] [已完结]ATK 算transmission spectrum 结果0? (1/607) zhangwq1919 2014-11-14 2014-11-16 16:00:26 by zhangwq1919
[Siesta& ] [已完结]siesta 的TranSIESTA Hands-on exercises 文件谁有哦 (0/458) liuyf1110 2014-11-13 2014-11-13 17:32:01 by liuyf1110
[Siesta& ] [已完结]PDOS of siesta (1/891) cwzhn 2014-10-23 2014-11-10 20:11:33 by huanghuiting
[Siesta& ] Siesta 3.1 手册 (4/953) qlm2008 2012-06-17 2014-10-12 16:55:08 by zhlu929
[Siesta& ] [已完结]散射区的transiesta计算是否设置MD.NumCGsteps=0 (0/414) joyce79928 2014-10-07 2014-10-07 20:27:43 by joyce79928
[Siesta& ] [已完结]如何对异质结建模? (5/3210) juloong 2011-11-09 2014-10-06 17:31:43 by tsglss
[Siesta& ] [已完结]如何做出力對於偏壓的圖利用transeista (0/358) joyce79928 2014-10-02 2014-10-02 17:36:24 by joyce79928
[Siesta& ] [已完结]Siesta中对应vasp中ISIF的参数是哪个?如何设置? (4/1080) 前田庆次 2014-09-25 2014-10-01 10:08:01 by 前田庆次
[Siesta& ] [已完结]transiesta计算出来的结构 (0/696) joyce79928 2014-09-30 2014-09-30 16:55:13 by joyce79928
[Siesta& ] [已完结]psf文件中 每一个参数的意义 (7/1444) 贺仪 2011-05-05 2014-09-28 08:32:07 by lanlanwa9002
[Siesta& ] [已完结]为什这种model会计算这么久? (0/453) joyce79928 2014-09-16 2014-09-16 16:12:46 by joyce79928
[Siesta& ] [已完结]restart the calculation (0/307) joyce79928 2014-09-16 2014-09-16 15:27:16 by joyce79928
[Siesta& ] 高压弹性常数计算 (39/2943) ingkongyiye 2013-12-04 2014-09-16 08:12:54 by 漫天飘雪
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