:D 获取中...

1 Band structure

1.1 Plot fatband with P4vasp

  1. Open P4vasp
  2. Open vasprun.xml
  3. Click Menu->Electronic->Local DOS+band control
  4. Click Show->Bands above the graph.
  5. Focus on the control tab ElectronicControlApplet, fill element name (e.g., C) to Atom selection, select Oribital (e.g., pz) in Orbital selection part. And click Add new line. The symbol type and size could be changed.