K. K. Roussel, G. Deol, J. Muller, J. Autschbach, . G. Crassous et al., 3) SHELX97 -Programs for Crystal Structure Analysis (Release 97-2, Chem. Eur. J, vol.21, issue.4, p.1673, 1998.

). J. Perdew, K. Burke, M. E. Adamo, and V. Barone, Generalized Gradient Approximation Made Simple, Physical Review Letters, vol.77, issue.18, pp.3865-110, 1996.
DOI : 10.1103/PhysRevLett.77.3865