BERYLLIUM BASIS SETS FOR THE CRYSTAL PROGRAM ============================================ TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html Title: beryllium Author: unknown When: unknown Comments: optimised in bulk BeO Use: BeO - Ref. 1, 3 Be-doped MgO - Ref. 2 Ref: (1) A. Lichanot et al., Chem. Phys. 164, 383 (1992) (2) C. Freyria-Fava et al., J.Phys.:Cond.Mat 5, 4793 (1993) (3) R. Dovesi et al., Phil. Trans. R. Soc. Lond. A 341, 203 (1992) 4 3 0 0 5 2.0 1.0 1670.0 0.00241 343.4 0.00850 121.1 0.0341 32.13 0.1849 8.322 0.6419 0 1 1 0.0 1.0 2.335 1.0 1.0 0 1 1 0.0 1.0 0.664 1.0 1.0