| 查看: 2250 | 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
电子信息270求调剂
已经有13人回复
-
山东高校教师考核超级无底线，员工过不下去啦
已经有6人回复
-
359求调剂
已经有4人回复
-
284求调剂
已经有10人回复
-
085410 273求调剂
已经有6人回复
-
288求调剂，一志愿华南理工大学071005
已经有17人回复
-
267求调剂
已经有5人回复
-
药学专硕调剂
已经有9人回复
-
271求调剂
已经有13人回复
-
求调剂，一志愿材料科学与工程985，365分，
已经有6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:
-
辽石化新材料学院材料专业调剂 理转工 / 学专互调
+1/489
-
浙江师范大学数理医学招聘专任教师
+5/285
-
哈尔滨工程大学核动力装置研究所招收1-2名博士生
+1/88
-
江西理工大学碳材料与新能源课题组招收2026年调剂生（学硕硕博连读）
+1/87
-
延安大学化学与化工学院接收调剂生（化学、化工学硕和材料与化工专硕）
+5/75
-
西安交通大学陕西省科技创新团队常年招聘保送生和考研生，每年2-4个名额
+1/41
-
一志愿前4位代码0703均可报名-河北大学分析化学专业招收调剂考生
+1/24
-
齐鲁工业大学-材料方向招收两名专硕调剂
+1/11
-
太原科技大学光学工程学科接受调剂
+1/11
-
新出名额：欢迎药学、生物、人工智能、计算机等有班长团支书经历加入-上海
+1/10
-
★上海★上海工程技术大学·环境与资源创新中心（ICER）接收化工材料环境等学科调剂生
+1/9
-
长江师范学院 材料工程 招收调剂学生
+1/5
-
深圳大学谢和平院士团队招收2026级博士生（AI for Science/计算化学方向，第二轮）
+1/5
-
Postdoc position in continuum mechanics of brain tissue at KTH in Stockholm
+1/5
-
齐齐哈尔大学李莉课题组诚招2026级考研调剂生（学硕和专硕）
+1/5
-
鲁东大学水产学院杨建敏教授课题组，2026年水产学硕接收调剂3-4人
+1/4
-
吉林工程技术师范学院 交叉学科研究院（08/07） 招收调剂
+1/3
-
青岛大学硕士调剂（物理/材料，计算模拟方向，欢迎联系）
+1/3
-
大连工业大学食品交叉科学研究院招收调剂研究生
+1/2
-
刘强教授团队招0802机械工程学硕和0855机械工程专硕调剂啦
+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
