Temperature and pressure dependent geometry optimization and elastic constant calculations for arbitrary symmetry crystals: Applications to MgSiO3 perovskites

Bin Wen, Tianjiao Shao, Roderick Melnik, Yoshiyuki Kawazoe, Yongjun Tian
  • Journal of Applied Physics, January 2013, American Institute of Physics
  • DOI: 10.1063/1.4794360