| 查看: 2203 | 回复: 11 | |||
[交流]
怎么ELK好久都没更新了呢……
|
 一直都把ELK当作为免费版轻量级的Wien2k来用的，而且ELK代码十分清晰，也是学习First-principles代码的绝对优良教材。可是就是这么一个优秀的代码，从去年5月21日之后，就停在了1.4.22版，一年多来没有再更新过。还期待着在ELK中可以用Hybrid functional的~而且还在想什么时候ELK可以加入Stress的计算~ 有没有人了解点内幕的，给爆一爆呗~是ELK就停止更新了？还是进一步的更新太难，导致进度过慢呢？ |
回复此楼» 猜你喜欢
天津大学招2026.09的博士生，欢迎大家推荐交流（博导是本人）
已经有11人回复
-
表哥与省会女结婚，父母去帮带孩子被省会女气回家生重病了
已经有9人回复
-
AI 太可怕了，写基金时，提出想法，直接生成的文字比自己想得深远，还有科学性
已经有10人回复
-
同年申请2项不同项目，第1个项目里不写第2个项目的信息，可以吗
已经有10人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有11人回复
-
依托企业入选了国家启明计划青年人才。有无高校可以引进的。
已经有11人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 好久没有收到Google 学术搜索快讯的更新了
已经有9人回复
- 【已解决】VASP内存占用疯涨……看来得重新编译了……
已经有14人回复
- 请教一下那款免费软件的结构优化功能比较好用？
已经有7人回复
» 抢金币啦！回帖就可以得到:
-
西湖大学2026年秋季入学物理学、光学、电子信息方向博士生有名额速来！！！
+2/258
-
西湖大学拓扑光学、非厄米光学、太赫兹方向博士后招聘
+2/250
-
中国石油大学（华东）吴传德教授团队（国家杰青）2026硕、博招生
+2/208
-
龙凤Tai——写给恋人的第100封情书
+1/98
-
威格焊接手套箱：稳定惰性环境，实现节能降本
+1/82
-
哈工大医康学院材料模拟计算方向人才招聘
+1/78
-
广州大学“长江学者”教授团队2026年海内外高层次人才招聘（环境/化学/生物）
+1/77
-
罗格斯大学纽瓦克校区(Rutgers-Newark) 招收 PHD，计算材料物理方向
+1/37
-
澳大利亚麦考瑞大学(Macquarie University)国际博士硕士全额奖学金-计算机-26年中开学
+1/16
-
香港中文大学（深圳）陈筱萌 课题组招生公告（博士 / 博后 / 硕士 / RA）
+1/15
-
哈工大（深圳）国家级青年人才 钟颖教授课题组 新增26级博士名额！欢迎报名！
+1/9
-
澳门大学生物医学影像实验室诚招博士生（2026秋季入学）
+1/7
-
江汉大学轩亮教授课题组招博士研究生/博士后
+1/4
-
广东工业大学马琳教授课题组招收2026年博士（材料物理与化学、光学专业）
+1/4
-
香港中文大学（深圳）陈筱萌 课题组招生公告（博士 / 博后 / 硕士 / RA）
+1/4
-
澳科大招收2026年秋季药剂学/生物材料方向全奖博士研究生（春节不打烊）
+1/4
-
队友
+1/3
-
【经验分享】CRISPR基因敲除细胞系构建全流程踩坑指南——从递送方式选择到克隆筛选
+1/2
-
美国密苏里大学“柔性电子”课题组诚招博士研究生
+1/1
-
北京信息科技大学仪器科学与光电工程学院【周哲海】教授团队招收博士研究生
+1/1
2楼2013-06-25 14:39:50
3楼2013-06-25 17:00:43
ELK也能有SVN发布的Nighty版？从哪儿能弄到啊？官方网站没看到任何的说明啊～ 4楼2013-06-25 21:05:08
★ ★
小木虫: 金币+0.5, 给个红包，谢谢回帖
souledge: 金币+1, The new beta version (2.1.22) has been uploaded since June 27th. 2013-06-30 17:58:26
小木虫: 金币+0.5, 给个红包，谢谢回帖
souledge: 金币+1, The new beta version (2.1.22) has been uploaded since June 27th. 2013-06-30 17:58:26
| 内容已删除 |
5楼2013-06-25 22:31:56
|
直接用elk.sourceforge.net是的确国内上不去的，但是www.sourceforge.net却没有任何问题，说明不是被墙，而是DNS有毛病，不能正确解析子域名～ 现在上ELK网站的简单方法就是进入http://sourceforge.net/projects/elk/?source=directory，除了ELK的主页打不开，其他的信息都还是可以无障碍使用的～ |
6楼2013-06-25 22:45:03
7楼2013-06-27 10:46:42
8楼2013-06-27 11:18:54
★ ★ ★ ★ ★ ★
小木虫: 金币+0.5, 给个红包，谢谢回帖
souledge: 金币+3, It's a heartening news! 2013-06-28 21:53:43
souledge: 金币+2, The new beta version (2.1.22) has been uploaded since June 27th. 2013-06-30 17:58:01
小木虫: 金币+0.5, 给个红包，谢谢回帖
souledge: 金币+3, It's a heartening news! 2013-06-28 21:53:43
souledge: 金币+2, The new beta version (2.1.22) has been uploaded since June 27th. 2013-06-30 17:58:01
|
Dear All, In anticipation of the upcoming CECAM Elk Tutorial, we are releasing a beta version 2. This is a test version that is unsuitable for production, but may be used to test the new features of the code. The main new addition is linear-response phonons using density functional perturbation theory. This has been under intense development for over a year, and is nearly ready for production. There are a few remaining problems with the implementation which will be hopefully resolved prior to the Tutorial. Also new, is the full magnetic response tensor chi(G,G',q,w) which works with all LSDA functionals as well as spin-orbit coupling, non-collinear magnetism and spin-spirals. We'd also like to welcome Oscar Grånäs as a new main author of the code. Best wishes, Kay Dewhurst, Sangeeta Sharma, Lars Nordstrom, Francesco Cricchio, Fredrik Bultmark, Oscar Grånäs and Hardy Gross ------------------------------- elk-2.1.22 -Important: this is a beta version and should not be used for production work; a production release will be made in a few weeks -Important: this version is not backwards compatible; calculations will have to be converged from scratch -density functional perturbation theory (DFPT) phonons now available; only for spin-unpolarised calculations at the moment; spin-polarisation will be added for the next release; use with task=205; still experimental and generates incorrect results for certain symmetries - we're still working on this; see the example 'Al-phonon-DFPT' -full frequency-dependent magnetic response function now available; works with non-collinear magnetism, etc.; use task=330; see example 'Ni-magnetic-response' -iterative diagonalisation greatly improved; now uses the method of P. Blaha, et al., J. Comp. Phys. 229, p453 (2010) -upgraded code to handle libxc version 2 -hybrid functionals should now work with libxc (experimental) -upgraded LAPACK to version 3.4.2 -block name dos changed to wplot; changed variable 'nwdos' to 'nwplot' -variable 'gmaxrpa' changed to 'gmaxrf'; this is the response function G-vector cut-off -BSE and TDDFT now faster, more accurate and memory efficient; thanks to M. Meinert for discussions -task 188 changed to 320 -reintroduced the variables 'lmaxinr' and 'fracinr'; this improves stability -lots of optimisations -added more MPI parallelism -various minor bug fixes -conduction state local-orbitals can now be switched on; use 'lorbcnd=.true.'; this can improve both ground-state and response function calculations; this is switched on automatically when 'highq=.true.' -most species files have been changed; mostly larger muffin-tin radii -Important: Markus Meinert suggested a change to 'nempty'; this variable now represents the number of states per atom and spin; this scales automatically as the number of atoms is increased -default 'nempty' is now 4 -M. Meinert changed the default Broyden parameters after extensive testing -LN fixed bug in XCrysDen Fermi surface plotting -LN also reduced the number of states which contribution to the Fermi surface plot to the minimum -supercell phonon calculations can now be restarted with 'task=202' -Frank Wagner discovered a bug which affects certain types of symmetries in rare instances; this has now been fixed -Important: default smearing function is now Fermi-Dirac (stype=3) -entropy contribution now added to the total energy -default smearing width reduced to 0.001 Ha, corresponding to room temperature -M. Meinert added a blocks-to-columns script; this is in the 'utilities' directory -Oscar Grånäs added to list of main authors ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ Elk-news mailing list Elk-news@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/elk-news |
9楼2013-06-28 09:56:30
有没有人有兴趣把新的2.1.22编译成Windows版啊？近来手头的电脑没有安装Visual Studio，无法编译的说～ 10楼2013-07-02 18:22:48
11楼2013-08-09 18:39:59
12楼2013-08-09 18:43:13