XsfConvert

  • 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: 
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简介  
xsfConvert用于转换从头计算代码的输出为XCrysDen的xsf格式,用于操作和显示晶体结构及密度。目前,xsfConvert包括两个程序:lm2xsf和v2xsf。
lm2xsf转换TB-LMTO-ASA的晶体结构、电荷密度和电子局域化函数(ELF)为xsf格式。
v2xsf转换VASP的结构输出数据(晶体结构、电荷密度、ELF和局域势)为xsf格式。
lm2bxsf用于转换TB-LMTO-ASA产生的费米面数据为XCrysDen的bxsf格式。