Skip to content

Latest commit

 

History

History
9 lines (5 loc) · 530 Bytes

README.md

File metadata and controls

9 lines (5 loc) · 530 Bytes

VASP-scripts

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