Band 2005.01中文手册

  • 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.

目录
示例的一般注释....................................................1
示例概览............................................................2
BAND运行的例子.................................................4
NACL晶体..........................................................4
铜层:两层的周期体系...................................13
CO在铜层上的吸收.........................................16
聚乙炔聚合物的计算.......................................20
相对论效应:铂层...........................................24
块状钯..............................................................26
铂表面的氢......................................................28
用GGA交换关联势计算NICU表面合金..........30
对铜二聚体使用CONFINEMENT和TAILS选项...32
对块状硅进行含时DFT计算...........................34
对氢链进行含时DFT计算...............................37

评论

thank you very much!