arXiv:1007.1127v1
Takeshi Nishimatsu, Masaya Iwamoto, Yoshiyuki Kawazoe, and Umesh V. Waghmare
First-principles accurate total-energy surfaces for polar structural distortions of BaTiO3, PbTiO3, and SrTiO3: consequences to structural transition temperatures
BaTiO3, LDAとGGAとでpotential energy surfaceが違う例。
