ASW

  • 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.
作者或出品公司: 
不详
最新版本: 
2.6
评分: 
0

缀加球面波方法(Augmented Spherical Wave Method)代码。ASW基于波恩—奥本海默近似,用Fortran95编写。密度泛函理论使用局域密度近似(LDA,使用多种参数),广义梯度近似 (GGA,包括Perdew-Wang 1991, Engel-Vosko 1993, Perdew-Burke-Ernzerhof 1996) ,muffin-tin近似(MTA)-->原子球近似(ASA) 。它覆盖整个周期表的元素,用于计算金属,半导体和绝缘体。
可以进行标量相对论计算,自旋限制和自旋非限制计算。可以计算电子特性,磁特性,凝聚性和弹性,化学键等。