목차
Quantum Espresso
PWscf
Molecular Dyanamics Simulation
Linux Shell Command
Useful Resources for Computational Physics
Quantum Espresso
PWscf
pw.x Guide
pp.x
Molecular Dyanamics Simulation
LAMMPS
NAMD
Linux Shell Command
문자열 앞뒤의 공백제거: sed -e 's/^ *
g' -e 's/ *$
g'
Regular expression
Useful Resources for Computational Physics
Brillouin-zone databases of space groups
Xcrysden
VESTA
k-path finder
QE on github
Google Colab
Phonopy
ShengBTE
Phonopy