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[热点] 硝基苯如何除去 Agedsugar 2025-12-25 刚刚
[Wien2k& ] [已完结]GGA+U 怎么加U？ (6/3366) jiang666lei 2011-06-14 2013-06-07 06:19:27 by arrinas
[Wien2k& ] [已完结]SCF为什么跑不了？ (3/614) yayanoba 2013-05-27 2013-05-28 02:55:58 by arrinas
[Wien2k& ] [已完结]Wien2k算纳米面是k点的设置问题 (1/479) 苦行客 2012-11-01 2013-05-02 13:59:45 by wuli8
[Wien2k& ] [已完结]Wien2k分析电子性质问题 (3/541) muzi1984 2013-04-11 2013-04-13 17:24:00 by KalaShayminS
[Wien2k& ] [已完结]WIEN2k出现这种能带，一般是哪里出错了？ (9/1954) DDO8809 2012-03-30 2013-04-12 13:57:53 by hadone
[Wien2k& ] [已完结]Wien2K 中的case.qtl 文件第一列是什么？    ( 1 2 ) (14/1376) pxjiushun100 2012-04-19 2013-04-01 05:09:45 by zzggbb
[Wien2k& ] [已完结]能带结构中 重带和轻带对应的电荷密度图 应该如何绘制。 (6/2011) kuiziyang 2013-03-26 2013-03-31 22:52:49 by pxjiushun100
[Wien2k& ] [已完结]scf错误 (1/774) 绿幽灵1304 2013-03-06 2013-03-31 11:05:42 by nyoxd
[Wien2k& ] [已完结]关于wien2k中case.dmat文件修改 (1/457) hfsad2007 2012-10-19 2013-03-25 07:25:55 by nyoxd
[Wien2k& ] [已完结]初始化过不去 (1/257) newgolf 2012-11-15 2013-03-25 07:17:12 by nyoxd
[Wien2k& ] [已完结]WIEN2k能不能计算静电势？ (1/452) snowmami 2013-03-24 2013-03-24 15:11:38 by snowmami
[Wien2k& ] [已完结]LaAlO3的原子坐标 (6/1380) hhp102 2012-06-19 2013-03-24 06:56:50 by 来不及许愿
[Wien2k& ] [已完结]wien2k计算的不收敛如何处理 (2/817) fansw1129 2013-03-21 2013-03-21 12:40:01 by fzuer
[Wien2k& ] WIEN2k的一些例子 (2/597) onebeing 2013-03-19 2013-03-20 08:49:57 by cailiaohq
[Wien2k& ] [已完结]wien2k计算超胞的时候初始化的问题 (3/1024) 静@思 2012-04-27 2013-03-20 08:44:44 by dianmao727
[Wien2k& ] [已完结]x_trans BoltzTrap 时出错0.000u 0.000s 0:00.08 0.0% 0+0k 0+0io 0pf+0w (0/1130) 451519234 2013-03-04 2013-03-04 16:02:03 by 451519234
[Wien2k& ] [已完结]wien2K中怎样同时加U和SOC? (0/687) yanghaigui 2013-01-27 2013-01-27 18:02:26 by yanghaigui
[Wien2k& ] 获取空位DOS的方法 (4/1064) zhylimin1979 2012-03-29 2013-01-25 17:27:23 by xiaoyukaka
[Wien2k& ] [已完结]wien2k计算电子能量损失谱出错 (2/714) bjwang 2013-01-16 2013-01-22 09:15:05 by bjwang
[Wien2k& ] [已完结]光学性质计算中出现问题，求高手解决 (0/348) 苦行客 2013-01-21 2013-01-21 21:11:54 by 苦行客
[Wien2k& ] [已完结]【求助】关于用WIEN2K计算optic的 (2/479) stxjlyh 2013-01-11 2013-01-16 14:43:25 by rogger
[Wien2k& ] [已完结]wien2k并行错误 (0/333) 迷路的游侠 2013-01-08 2013-01-08 15:41:12 by 迷路的游侠
[Wien2k& ] [已完结]求助wien2k的hf计算 (0/425) 迷路的游侠 2013-01-01 2013-01-01 16:42:33 by 迷路的游侠
[Wien2k& ] [已完结]wien2k中自旋极化计算的步骤 (4/1360) kuiziyang 2012-12-25 2012-12-27 00:04:04 by chenyuchen
[Wien2k& ] [已完结]画电荷密度的时候rhoplot不显示图形是怎么回事儿 (0/317) 迷路的游侠 2012-12-26 2012-12-26 15:53:39 by 迷路的游侠
[Wien2k& ] [已完结]求助wien2k编译fftw错误 (1/765) 迷路的游侠 2012-12-24 2012-12-24 23:35:26 by 迷路的游侠
[Wien2k& ] [已完结]求助：wien2k在界面能计算方面的问题 (0/455) wh_xy 2012-12-20 2012-12-20 22:23:16 by wh_xy
[Wien2k& ] [已完结]求助Wien2k计算时lapw1出现错误 (1/579) yinwei_li 2012-12-20 2012-12-20 19:39:17 by iamikaruk
[Wien2k& ] [已完结]wien2k (0/322) 张小净 2012-12-13 2012-12-13 17:31:20 by 张小净
[Wien2k& ] [已完结][关贴]计算过程正确，w2web不能显示优化图和态密度图 (4/484) 1xiaohua1 2012-11-15 2012-12-06 16:10:17 by 1xiaohua1
[Wien2k& ] [已完结]Wien2k安装 编译过程总是出现错误 (6/1481) xiaofeiyu0 2012-11-30 2012-12-04 15:46:50 by xiaofeiyu0
[Wien2k& ] [已完结]wien2k采用mbj势计算错误 (0/634) wswangs 2012-12-03 2012-12-03 12:33:02 by wswangs
[Wien2k& ] [已完结][关贴]wien2k 错误 (1/439) haily 2011-11-04 2012-11-29 19:41:14 by haily
[Wien2k& ] [已完结]哪路神仙指点下wien 2k 计算ZnS,ZnSe,ZnTe的计算参数 (0/354) 笑`笑 2012-11-25 2012-11-25 21:03:45 by 笑`笑
[Wien2k& ] [已完结]优化体积没有抛物线 (2/314) phq323 2012-08-22 2012-11-21 18:26:41 by 1xiaohua1
[Wien2k& ] [已完结]intel环境变量设置 (4/986) wswangs 2012-11-15 2012-11-18 22:31:29 by wswangs
[Wien2k& ] [已完结]如何用wien2k计算体积不变施加沿001方向单轴应力 (1/531) 895841685 2012-09-16 2012-11-15 19:06:31 by wswangs
[Wien2k& ] 分子模拟计算 (2/405) mingmbm 2012-11-13 2012-11-15 18:50:26 by fyuewen
[Wien2k& ] [已完结]关于使用w2web进行体积优化的问题！ (5/776) wh_xy 2011-07-14 2012-11-15 17:17:51 by 1xiaohua1
[Wien2k& ] [已完结]初始化问题 (0/257) 绿幽灵1304 2012-11-14 2012-11-14 14:06:56 by 绿幽灵1304
[Wien2k& ] [已完结]超胞结构如何建立？    ( 1 2 ) (12/3027) leithron 2011-11-22 2012-11-13 11:54:39 by sunflower_12
[Wien2k& ] the total energy as a function of lattice volume (6/736) 贝芷苡 2012-11-04 2012-11-07 16:49:20 by souledge
[Wien2k& ] 【招聘信息】 维也纳技术大学.招博士    ( 1 2 ) (评阅+1) (15/2027) anchea 2012-02-11 2012-11-06 12:44:40 by anchea
[Wien2k& ] [已完结]求一个WIEN2k服务器计算的Pbs提交命令文件 (4/1597) lan徉yang 2012-05-14 2012-11-02 11:44:00 by 杨寻
[Wien2k& ] [已完结]boltztrap 1.2.2 编译总是出错，那位高手帮忙看看。 (2/1021) kuiziyang 2012-11-01 2012-11-02 08:51:00 by kuiziyang
[Wien2k& ] [已完结]求解释case.in5文件的第四行是什么意思！ (0/479) sunflower_12 2012-11-01 2012-11-01 20:36:59 by sunflower_12
[Wien2k& ] [已完结]wien2k问题，求高手指导 (2/322) 苦行客 2012-11-01 2012-11-01 18:14:35 by 苦行客
[Wien2k& ] wien2k自洽不收敛 (2/930) w6765579 2012-10-31 2012-11-01 17:15:46 by shiy
[Wien2k& ] [已完结]打开 w2web (2/760) kuiziyang 2012-10-25 2012-10-30 08:32:14 by kuiziyang
[Wien2k& ] [已完结]wien2k运行脚本如何修改--sge（openmpi）? (1/971) bjwang 2012-05-16 2012-10-28 06:40:51 by bjwang
[Wien2k& ] [已完结]用w2k计算的rhoplot画的2D实空间电子密度图，太粗糙了，怎么把线画的更光滑？ (2/642) sunflower_12 2012-10-24 2012-10-25 16:33:10 by sunflower_12
[Wien2k& ] wien2k 初学交流 (0/449) w6765579 2012-10-22 2012-10-22 22:47:36 by w6765579
[Wien2k& ] [已完结]wien2k 结构问题 (0/595) w6765579 2012-10-20 2012-10-20 14:28:51 by w6765579
[Wien2k& ] [已完结]WIEN2K的这个错误是怎么回事？STOP L2main - QTL-B Error    ( 1 2 ) (11/2828) DDO8809 2011-08-22 2012-10-17 17:02:26 by 周伯阳
[Wien2k& ] electron-phonon coupling in exciting (8/1189) windring 2012-10-15 2012-10-16 22:28:31 by hzj12399
[Wien2k& ] [已完结]wien2k初始化出现的问题 (3/1157) yh3166 2012-09-25 2012-09-25 16:03:08 by fzx2008
[Wien2k& ] [已完结]wien2k当K点取的比较大时带宽图出不来怎么办？ (2/444) dianmao727 2012-07-29 2012-09-24 19:53:27 by fzx2008
[Wien2k& ] [专家] [已完结]ELK计算严重不收敛～    ( 1 2 ) (10/2143) souledge 2011-11-10 2012-09-19 20:01:14 by cast510
[Wien2k& ] [已完结]Wien2k编译错误 (1/583) jyj20090101 2012-09-18 2012-09-18 04:54:17 by jyj20090101
[Wien2k& ] [已完结]电子密度的时候点xlapw5出现DIR wrong (2/544) dianmao727 2012-07-17 2012-09-17 17:04:33 by shichangxi
[Wien2k& ] wien2k 初始化过程中出错，struct 文件变空或一部分 (0/264) hlshi 2012-09-11 2012-09-11 16:40:02 by hlshi
[Wien2k& ] [已完结]wine2k的图形界面建立石墨烯的结构出错，求助！ (2/1228) tongji888 2012-09-05 2012-09-06 15:46:22 by tongji888
[Wien2k& ] [已完结]求助WIEN 2K下载 (3/702) lchchl 2012-09-05 2012-09-05 12:26:38 by lchchl
[Wien2k& ] [已完结]Wien2k算16个原子时间长 (2/442) shichangxi 2012-08-24 2012-08-30 16:48:19 by shichangxi
[Wien2k& ] linearization energy (0/302) umklapp 2012-08-30 2012-08-30 00:13:06 by umklapp
[Wien2k& ] [已完结]WIEN2K中使用GGA-PBEsol（indxc=19） dstart出错，同样的结构用PBE可以计算 (1/777) xhsang 2012-08-26 2012-08-27 09:46:47 by xhsang
[Wien2k& ] [已完结]第一次使用wien2k的入门级问题 (8/2329) jfgood 2012-08-18 2012-08-19 22:03:47 by lbbz323
[Wien2k& ] [已完结]wien2k并行编译错误-fftw (4/1561) xiaoqiu007 2011-06-13 2012-08-16 17:12:26 by tongji888
[Wien2k& ] [已完结]wien2k计算态密度的第一步很长时间没结束 (1/536) 单托 2012-07-16 2012-08-12 13:22:44 by arrinas
[Wien2k& ] [已完结]wien2k的安装 (2/941) mansamsung8113 2012-08-01 2012-08-02 09:32:57 by mansamsung8113
[Wien2k& ] [已完结]求助一个四面体中d轨道劈裂反常的DOS图。 (2/1227) stxjlyh 2012-07-21 2012-07-25 22:54:28 by stxjlyh
[Wien2k& ] [已完结]求 ifort 10 或 11 ，以及 mkl 10 (6/953) wilsun7 2012-07-19 2012-07-20 09:27:34 by wilsun7
[Wien2k& ] [已完结]wien2k orthorhombic 结构优化 (1/561) wswangs 2012-06-25 2012-06-26 10:29:32 by wswangs
[Wien2k& ] [已完结]wien2k编译出错 (6/1391) bluejh 2012-06-18 2012-06-19 16:22:20 by bluejh
[Wien2k& ] [已完结][font=宋体]求wien2k软件 最好是windows版的[/font] (1/550) 895841685 2012-03-25 2012-06-15 14:04:46 by liuxiaocunde
[Wien2k& ] [已完结]求助：wine2k计算出现warning (0/682) muzi1984 2012-06-14 2012-06-14 15:47:09 by muzi1984
[Wien2k& ] [已完结]wien2k k点选取？ (2/469) 大瑶Alice 2012-04-07 2012-06-14 06:15:14 by liuxiaocunde
[Wien2k& ] [已完结]wien2k (3/477) 张小净 2012-06-09 2012-06-10 14:30:57 by wswangs
[Wien2k& ] [已完结]wien2k就算掺杂的VBM (2/434) xf8349756 2012-05-18 2012-06-08 09:33:00 by liuxiaocunde
[Wien2k& ] [已完结]wien2k 建Mg（0001）面超胞，没办法建真空层 (3/804) wswangs 2012-06-01 2012-06-04 09:05:57 by wswangs
[Wien2k& ] [已完结]BoltzTraP中ecut这个参数怎么设置？ (0/710) 花无刺 2012-06-03 2012-06-03 21:57:08 by 花无刺
[Wien2k& ] [已完结]求Si的态密度图和能带结构图 (8/2578) liyanliyan 2012-05-25 2012-05-26 23:43:31 by txy6823
[Wien2k& ] [已完结]求lmtart7.04的makefile (0/281) beyondstar 2012-05-23 2012-05-23 18:26:11 by beyondstar
[Wien2k& ] [已完结]case.energy文件中一些数据的含义是什么？ (2/677) 花无刺 2012-05-18 2012-05-23 11:56:30 by fzx2008
[Wien2k& ] [已完结][关贴]请教xcrysden的安装    ( 1 2 ) (10/2210) liuxiaocunde 2011-12-01 2012-05-18 22:06:00 by fzx2008
[Wien2k& ] [已完结]LDA+U (6/1781) 学至老 2011-06-10 2012-05-18 17:11:52 by liuxiaocunde
[Wien2k& ] [已完结]SCF出错 (1/546) liyanliyan 2012-04-28 2012-05-17 14:21:28 by yh3166
[Wien2k& ] [已完结]用w2web界面计算性质之前的结构优化 (7/1277) liyanliyan 2012-05-04 2012-05-05 08:10:03 by liyanliyan
[Wien2k& ] [已完结]用w2web计算态密度 (0/324) liyanliyan 2012-05-03 2012-05-03 08:51:23 by liyanliyan
[Wien2k& ] [已完结]ELK中spmass是怎样得到的？同位素的spmass如何确定？ (1/775) tanloer 2012-04-28 2012-04-28 15:08:43 by tanloer
[Wien2k& ] [已完结]怎么能让scf尽快收敛 (1/628) liyanliyan 2012-04-18 2012-04-27 14:15:17 by yh3166
[Wien2k& ] [已完结]运行SCF时出错 (1/604) liyanliyan 2012-04-26 2012-04-27 14:10:22 by yh3166
[Wien2k& ] [已完结]考虑自旋轨道耦合（SOI）后，能带线是一条变两条？ (1/516) DDO8809 2012-04-26 2012-04-26 20:46:14 by corbin
[Wien2k& ] [已完结]启动SCF出错 (0/225) liyanliyan 2012-04-26 2012-04-26 12:47:11 by liyanliyan
[Wien2k& ] [已完结]能带图，一条能带曲线同时穿越了价带和导带，咋回事哦？ (9/3124) DDO8809 2011-11-05 2012-04-23 19:16:18 by 铁昂笑
[Wien2k& ] [已完结]这里面的fz(x2-y2)什么态啊，是怎么得来的 (5/607) Hyjen 2012-04-12 2012-04-19 18:37:05 by iamikaruk
[Wien2k& ] [已完结]wien2k安装完后运行TiC示例为什么没有自动算出RMT值 (0/367) 895841685 2012-04-19 2012-04-19 08:59:43 by 895841685
[Wien2k& ] [已完结]求Wien2k软件包里 的 TiC.tar.gz, TiO2.tar.gz and Fccni.tar.gz. 学习附件例子 (0/438) 895841685 2012-04-18 2012-04-18 21:23:00 by 895841685
[Wien2k& ] [已完结][关贴]【已经解决】谁有ZnS的结构文件啊 (1/267) 夏风and小徉 2012-04-18 2012-04-18 16:14:55 by 夏风and小徉
[Wien2k& ] [已完结]wien2k不收敛怎么办？ (6/1008) 大瑶Alice 2012-04-05 2012-04-18 15:43:28 by liyanliyan
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