Hubbard U在分区中可能出现的奇怪错误

hubbardu01.jpg hubbardu02.jpg hubbardu03.jpg 这里的Region显示不正常。

解决方法：

  1. select all atoms
  2. go to the Atom Details panel
  3. delete the Type specified for the first atom (select the text in that field, and use the backspace key)
  4. right-click on that empty field, and in the popup “Use same value for all selected atoms?” answer yes
  5. all fields should be made empty, and as a result all should revert to their default value (the element names).