CAMUS-FSIS

  • 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: 
1.0
评分: 
3

简介  
Nano-scale Device Simulation程序包的混合模拟程序,可以对大型硅材料的子体系在各种理论层次(第一性原理、紧束缚和分子力学)下进行模拟。第一性原理区域使用PHASE。参见Nano-scale Device Simulation。

功能  
1. 硅材料的多区域混合模拟,可以对不同区域同时进行第一性原理、紧束缚和分子力学计算
2. 非混合模拟
3. 子体系的能量
4. 作用于每个原子上的力
5. 结构优化
6. 绝对零度或有限温度的分子动力学模拟
7. 用MPI实现并行化