Python helper library for QUANTUM ESPRESSO
- classes for parsing and manipulating data from pw.x, and gipaw.x
md.Md(infile, outfile)is an object for fetching data from molecular dynamics simulations using pw.xefg.Efg(outfile)is an object for fetching data from EFG calculations with gipaw.x
namelist.Namelist()is for scripting the creation of input files for pw.x- fundamental constants
- atomic data (mass, gyromagnetic ratios, quadrupole moments, etc)
