ZINC BASIS SETS FOR THE CRYSTAL PROGRAM ======================================= TCM CRYSTAL basis set library: https://vallico.net/mike_towler/crystal.html Title: zinc Author: J. Jaffe When: 1993 Use: ZnO Refs: 1. "Hartree-Fock Study of Phase Changes in ZnO at High Pressure," J. E. Jaffe and A. C.Hess, Phys. Rev. B 48, 7903 (1993). 2. "Ab Initio Study of ZnO (10-10) Surface Relaxation," J. E. Jaffe, N. M. Harrison and Anthony C. Hess, Phys. Rev. B 49, 11153 (1994). 30 8 0 0 8 2.0 1.0 417016.5 0.00023 60504.2 0.00192 12907.9 0.01101 3375.74 0.04978 1018.11 0.16918 352.55 0.36771 138.19 0.40244 57.851 0.14386 0 1 6 8.0 1.0 1079.2 -0.00620 0.00889 256.52 -0.07029 0.06384 85.999 -0.13721 0.22039 34.318 0.26987 0.40560 14.348 0.59918 0.41370 4.7769 0.32239 0.34974 0 1 4 8.0 1.0 60.891 0.00679 -0.00895 25.082 -0.08468 -0.03333 10.620 -0.34709 0.08119 4.3076 0.40633 0.56518 0 1 1 0.0 1.0 1.6868 1.0 1.0 0 1 1 0.0 1.0 0.62679 1.0 1.0 0 1 1 0.0 1.0 0.15033 1.0 1.0 0 3 4 10.0 1.0 57.345 0.02857 16.082 0.15686 5.3493 0.38663 1.7548 0.47766 0 3 1 0.0 1.0 0.51592 1.0