Useful links for Quantum Espresso: Difference between revisions
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pw.x Input File Description: | pw.x Input File Description: | ||
http:// | http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_PW.html | ||
projwfc.x Input File Description: | projwfc.x Input File Description: | ||
http:// | http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/Doc/INPUT_PROJWFC.html | ||
pp.x Input File Description: | pp.x Input File Description: | ||
http:// | 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: | Data transfer between different architecture: | ||
Revision as of 16:32, 25 April 2018
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 http://people.sissa.it/~dalcorso/pslibrary/index.html
Quantum Espresso User manual http://www.quantum-espresso.org/users-manual/
General Input File Description: http://www.quantum-espresso.org/users-manual/input-data-description
pw.x Input File Description: http://web.mit.edu/espresso_v6.1/i386_linux26/qe-6.1/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