Useful links for Quantum Espresso

Go back to Scripts_for_QE

Main Quantum Espresso website: http://www.quantum-espresso.org/

Quantum Espresso default pseudopotentials: http://www.quantum-espresso.org/pseudopotentials/

Quantum Espresso advanced pseudopotentials: http://materialscloud.org/sssp https://dalcorso.github.io/pslibrary/

Quantum Espresso User manual http://www.quantum-espresso.org/users-manual/

General Input File Description: https://www.quantum-espresso.org/resources/users-manual/input-data-description

pw.x Input File Description: https://www.quantum-espresso.org/Doc/INPUT_PW.html

projwfc.x Input File Description: http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_PROJWFC.html

pp.x Input File Description: http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_PP.html

neb.x Input File Description: http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_NEB.html

Data transfer between different architecture: http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node9.html

Environ plug-in: http://www.quantum-environment.org/home.html

Bader software to compute Bader charges: http://theory.cm.utexas.edu/henkelman/code/bader/

Mailing list and pw_forum http://www.qe-forge.org/mailman/listinfo/pw_forum

Xcrysden command line: http://www.xcrysden.org/doc/comlin.html

2018 QE6.2 workshop & tutorials: https://sites.psu.edu/qe2018/