Welcome to XEspresso’s documentation!
Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).
Features
Support all QE packages, including: pw, band, neb, dos, projwfc, pp …
Spin-polarized calculation
LD(S)A+U
Automatic submit job
Automatic check a new calculation required or not
Automatic set up “nscf” calculation
Read and plot dos, pdos and layer resolved pdos
Plot NEB
Contents: