xEspresso - A great tool for newcomers in QE and ASE

xEspresso is a great tool to combine between Quantum ESPRESSO Calculator and Atomic Simulation Environment (ASE).

Currently, the xEspresso can deal with

  • All QE packages
  • Spin-polarized calculation
  • LD(S)A+U
  • NEB plotting
To install xEspresso code, please follow the instruction from author on Github.

Example:



NEB plotting


Al PDOS 

Original source: https://github.com/superstar54/xespresso

Developer email: Xing Wang (xingwang1991@gmail.com)

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