ionic_permittivity.py
: Calculates normal mode charges, mode oscillator strengths and ionic contribution to permittivity (read more)
polarization.py
: Calculate the Berry phase polarization, requires input of quantized offset of polarization in each lattice directions. The offset can only be multiples of 0.5
dos_plot.py
: Plots non-magnetic PDOS (s,p,d orbitals) from xml file
E_field.py
: Visualize macroscopic electric fields using LOCPOT and CHGCAR