Useful links for Quantum Espresso: Difference between revisions
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Quantum Espresso advanced pseudopotentials: | Quantum Espresso advanced pseudopotentials: | ||
http://materialscloud.org/sssp | http://materialscloud.org/sssp | ||
https://dalcorso.github.io/pslibrary/ | |||
Quantum Espresso User manual | Quantum Espresso User manual | ||
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General Input File Description: | General Input File Description: | ||
https://www.quantum-espresso.org/resources/users-manual/input-data-description | |||
pw.x Input File Description: | pw.x Input File Description: | ||
https://www.quantum-espresso.org/Doc/INPUT_PW.html | |||
projwfc.x Input File Description: | projwfc.x Input File Description: | ||
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Mailing list and pw_forum | Mailing list and pw_forum | ||
http://www.qe-forge.org/mailman/listinfo/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/ | |||
Latest revision as of 12:06, 16 December 2019
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/