Generate and validate absorption.inp for BerkeleyGW BSE optical absorption calculation
find ~/BryceByeongchan/ -name "*.skill"
Generate and validate epsilon.inp for BerkeleyGW dielectric function calculation
Parse sigma.out files from a convergence sweep and report the QP gap table with convergence suggestion
Set up epsilon+sigma convergence sweep for epsilon_cutoff or epsilon number_bands (re-runs epsilon.x with coarse q-grid)
Set up a sigma-only convergence sweep (reusing a fixed epsmat) for screened_coulomb_cutoff or number_bands
Generate and validate kernel.inp for BerkeleyGW BSE kernel calculation
Generate kgrid.inp from an XSF structure file for BerkeleyGW kgrid.x
Generate parabands.inp to produce WFN_pb with many empty bands via stochastic pseudobands
Generate pw2bgw.inp for QE → BerkeleyGW format conversion (WFN, RHO, VXC, VSC, VKB)
Generate and validate sigma.inp for BerkeleyGW self-energy (quasiparticle correction) calculation
Fetch structure files from Materials Project
Generate Quantum Espresso input files (pw.x, pp.x, dos.x, bands.x, projwfc.x, ph.x, pw2wannier90.x)
Validate Quantum Espresso input files against official flag definitions
Plot band structure from Quantum Espresso bands.x XML output