SPR-TB-KKR

  • strict warning: Non-static method view::load() should not be called statically in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/views.module on line 906.
  • strict warning: Declaration of views_handler_argument::init() should be compatible with views_handler::init(&$view, $options) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/handlers/views_handler_argument.inc on line 744.
  • strict warning: Declaration of views_plugin_row::options_validate() should be compatible with views_plugin::options_validate(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
  • strict warning: Declaration of views_plugin_row::options_submit() should be compatible with views_plugin::options_submit(&$form, &$form_state) in /home/vasp/wwwroot/drupal-6.33/sites/all/modules/views/plugins/views_plugin_row.inc on line 134.
最新版本: 
不详
评分: 
3

申请者必须具有相关的研究经验,并简要描述研究计划。程序只发布给有经验的用户。

简介  
电子结构程序,使用屏蔽的或紧束缚近似的KKR方法进行二维或三维体系的电子结构计算。其中一个单独的程序还可以处理二维或三维主体系中嵌入的零维子体系。
程序包源自TB-KKR程序,加入了SPR-KKR程序中的很多功能,如自旋极化相对论模式,CPA合金方法,非共线磁性,相对论输运和LSDA+U模式。