Beryllium Basis-Sets:
4 3 0 0 5 2. 1. 1670. 0.00241 343.4 0.00850 121.1 0.0341 32.13 0.1849 8.322 0.6419 0 1 1 2. 1. 2.335 1. 1. 0 1 1 0. 1. 0.664 1. 1. Used in: BeO A. Lichanot, M. Chaillet, C. Larrieu, R. Dovesi and C. Pisani, ``Ab-initio Hartree-Fock study of solid beryllium oxide: structure and electronic properties'', Chem. Phys. 164, 383-394 (1992). MgO doped with Be C. Freyria-Fava, R. Dovesi, V.R. Saunders, M. Leslie and C. Roetti, ``Ca and Be substitution in bulk MgO: ab initio Hartree-Fock and ionic model supercell calculation'', J. Phys. Cond. Matter 5, 4793-4804 (1993).
4 4 0 0 5 2. 1. 1200. 0.001559 400. 0.003605 120. 0.019773 32. 0.083441 10. 0.287216 0 0 1 2. 1. 3. 1. 0 1 1 0. 1. 0.85 1. 1. 0 1 1 0. 1. 0.27 1. 1. R. Dovesi, C. Pisani, F. Ricca and C. Roetti, ``Ab initio study of metallic beryllium'', Phys. Rev. B 25, 3731-3739 (1982).
4 5 0 0 6 2.0 1.0 4700.2365626 0.00023584389316 704.82845622 0.00182437910190 160.43110478 0.00939661482240 45.425347336 0.03690892415900 14.798334125 0.10897561281000 5.3512452537 0.21694284551000 0 0 2 2.0 1.0 2.1542044819 0.44695408857000 0.9336374440 0.20866985771000 0 0 1 0.0 1.0 0.24174508 1.00000000000000 0 0 1 0.0 1.0 0.12111452 1.00000000000000 0 2 1 0.0 1.0 0.79262157 1.00000000000000 M. F. Peintinger, D. Vilela Oliveira, and T. Bredow "Consistent Gaussian Basis Sets of Triple-Zeta Valence with Polarization Quality for Solid-State Calculations", Journal of Computational Chemistry 2012, DOI: 10.1002/jcc.23153
4 5 0 0 6 2.0 1.0 1682.8000000 0.00228574 251.7150000 0.0175938 57.4116000 0.0863315 16.5171000 0.2818350 4.8536400 0.6405940 0.6268630 0.1444670 0 1 2 2. 1.0 8.3093800 0.1086210 0.0361344 1.7407500 0.9273010 0.2169580 0 1 1 0. 1.0 0.4980 -0.00297169 0.8418390 0 1 1 0. 1.0 0.1222 1.0000000 1.0000000 0 3 1 0. 1.0 0.558 1.0000000 J. Baima, A. Erba, M. Rerat, R. Orlando, and R. Dovesi, "Beryllium Oxide Nanotubes and their Connection to the Flat Monolayer", submitted, 2012.
4 4 0 0 5 2 1.0 515.18616125 0.005561530798 77.511037595 0.041190068062 17.552481693 0.179133781080 4.8028940596 0.447367164550 1.4516214316 0.420095819200 0 0 1 0 1.0 0.3001210300 1.000000000000 0 0 1 2 1.0 0.1409622900 1.000000000000 0 2 1 0 1.0 0.6951546600 1.000000000000 D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow "BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations", Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013
4 5 0 0 6 2.0 1.0 4700.2365626 0.00023584389316 704.82845622 0.00182437910190 160.43110478 0.00939661482240 45.425347336 0.03690892415900 14.798334125 0.10897561281000 5.3512452537 0.21694284551000 0 0 2 2.0 1.0 2.1542044819 0.44695408857000 0.9336374440 0.20866985771000 0 0 1 0.0 1.0 0.3017450800 1.00000000000000 0 0 1 0.0 1.0 0.1411145200 1.00000000000000 0 2 1 0.0 1.0 0.6526215700 1.00000000000000 D. Vilela Oliveira, M. F. Peintinger, J. Laun, and T. Bredow "BSSE-correction scheme for consistent gaussian basis sets of double- and triple-zeta valence with polarization quality for solid-state calculations", Journal of Computational Chemistry 2019, 40, 2364–2376 DOI: 10.1002/jcc.26013