Plot Interface

GVasp support optimization, electrostatic potential, band structure, density of states, potential energy surface as well as the neb images plot. Each plot task can use --save or --show to save or show the output figure. For the plot setting and data load, one need to use -j/--json to specify one json file to handle it.

Note

--save and --show can’t as the arguments at the meantime.

Detailed arguments setting can see the sub-topics below.

Contents:

• Optimization trajectory Plot
• Electrostatic Potential Plot
• Band Structure Plot
• Density of States Plot
  • simple case
  • atoms projection
  • multiple lines
  • use fill method
  • specify legends
  • multiple files
  • DOS align
• Potential Energy Surface Plot
  • simple case
  • change style
  • None value
  • multiple lines
  • specify legends
• NEB images Plot
• Plot Arguments

Note

We recommend user plot the figure under the Win/MAC OS system, because Linux may lack some necessary fonts by default, which can be fixed following the instruction here.