UVSOR

  • 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.
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简介  
  Nano-scale Device Simulation程序包的介电性质分析程序。程序基于第一性原理赝势方法,可以计算材料的电子介电函数和格子介电函数。UVSOR与PHASE共享输入文件,计算基于PHASE的输出。参见Nano-scale Device Simulation。

功能  
1. 计算介电函数(0至紫外的频域)
2. 电子介电常数
3. 格子介电常数
4. 反射因子,折射率,以及光吸收谱
5. 原子的Born有效电荷
6. 红外吸收谱
7. Drude项
8. 用MPI实现并行化