Wannier90

  • 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: 
1.1
评分: 
3

简介  
  Wannier90使用Marzari和Vanderbilt的方法(MV)进行最大局域化瓦尼尔函数计算。对于纠缠能带,使用Souza,Marzari,Vanderbilt的方法(SMV)。目前,Wannier90可以与基于平面波-赝势(模守恒和超软赝势)或FLAPW的电子结构代码结合使用。前者支持PWscf。此外,可以用gnuplot程序显示Wannier90的输出,绘制能带结构。晶体/分子结构、瓦尼尔函数及费米面可以用XCrySDen显示。

Wannier90 1.1增加以下功能:
1. 到PWscf的接口。