Features

Current functions

  • Basic electronic structure analysis: (projected) band structure, density of states

  • 2D analysis: 2D band structure, spin texture

  • In-plane average of electrostatic potential for work function calculation

  • Structure analysis: spacegroup analysis, unit cell transformation, working with cif file, and variety of structure formats (POSCAR, cif, xsf)

  • Read WAVECAR and visualize the (real/imaginary) periodic part of a Bloch state

  • Read WAVEDER/WAVEDERF to get the derivative of the orbitals with respect to k

  • Currently, only VASP outpus are supported (vasprun.xml, OUTCAR)

Soon-to-be-released functions

  • Connecting to Bilbao Crystallographic Server

  • Topological analysis

  • Optical adsorption coefficient

Future functions

  • Phonon calculation

  • Band structure unfolding

  • Set up a EOS calculation