===== Quantum Espresso ===== ==== PWscf ==== * [[https://www.quantum-espresso.org/Doc/pw_user_guide/|pw.x Guide]] * [[https://www.quantum-espresso.org/Doc/INPUT_PP.html|pp.x]] ===== Molecular Dyanamics Simulation ===== * [[https://www.lammps.org/|LAMMPS]] * [[https://www.ks.uiuc.edu/Research/namd/|NAMD]] ===== Linux Shell Command ===== * 문자열 앞뒤의 공백제거: sed -e 's/^ *//g' -e 's/ *$//g' * [[https://regexr.com/|Regular expression]] ===== Useful Resources for Computational Physics ===== * [[https://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-kv-list|Brillouin-zone databases of space groups]] * [[http://www.xcrysden.org/|Xcrysden]] * [[https://jp-minerals.org/vesta/en/download.html|VESTA]] * [[https://www.materialscloud.org/work/tools/seekpath| k-path finder]] * [[https://github.com/QEF/q-e | QE on github]] * [[https://colab.research.google.com/ | Google Colab]] * [[https://phonopy.github.io/phonopy/index.html | Phonopy]] * [[https://www.shengbte.org/ | ShengBTE]] * [[https://phonopy.github.io/phonopy/ | Phonopy ]]