Bulk materials
Take Platinum as an example, a series of modeling is performed:
- Load file from database: click
File
→Load from Online Database
in the menu, clickPt
→Search
→Load
in the pop-up window; - Convert between primitive cell and conventional cell: Click
Modify
→Symmetry
→Primitive/Conventional Cell
in the menu, this example will use conventional cell; - Build supercell: Click
Modify
→Build Supercell
in the menu, and set the supercell size in the pop-up window; - Build Doped Structures: In the toobar, click to activate the selection mode, select the atom to be replaced → then in the toobar, click to replace it with other elements.