PHASE

  • 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

简介  
Nano-scale Device Simulation程序包的基于第一性原理赝势方法的能带计算程序。参见Nano-scale Device Simulation。

功能
 
1. 用LDA或GGA计算总能量
2. 电荷密度分布
3. 电子的态密度
4. 能带结构
5. 稳定原子结构
6. 振动分析
7. stm图模拟
8. 结构优化可使用淬火方法和GDIIS
9. 用MPI实现并行化
10.可以使用Troullier-Martins软赝势和Vanderbilt超软赝势。