Minicurso Quantum ESPRESSO SEEDMol 2018

Input_File_Description.pdf
Giannozzi2017.pdf
Giannozzi2009.pdf
Curtarolo2010.pdf
MiniCurso_QE_SEEDMol2018.pptx

Comandos Importantes

Comandos_Uteis.txt

June Gunn Lee - Computational Materials Science:

Silicon: Quantum ESPRESSO input

Silicon/B-doped: Quantum ESPRESSO input

Silicon/C-doped: Quantum ESPRESSO input

NEB: Quantum ESPRESSO input

Scripts - QE/Gnuplot