Neon basis sets for use with Trail-Needs pseudopotentials --------------------------------------------------------- "Correlation Consistent Gaussian Basis Sets for H, B-Ne with Dirac-Fock AREP Pseudopotentials: Applications in Quantum Monte Carlo Calculations" J. Xu, M.J. Deible, K.A. Peterson and K.D. Jordan Journal of Chemical Theory and Computation, 9, 2170-2178 (2013) CRYSTAL FORMAT Consider removing the outer diffuse functions in periodic systems. Neon aug-cc-pVDZ-CDF 210 8 0 0 10 2.0 1.0 92.69060 -0.001978 57.82087 0.016486 35.95086 -0.075149 22.46839 0.207380 14.04772 -0.253887 4.84496 -0.065784 2.60801 0.235620 1.16230 0.458705 0.52388 0.382176 0.23033 0.096132 0 2 10 6.0 1.0 83.62965 -0.000646 52.26564 0.005290 32.639646 -0.026948 19.127791 0.081436 6.765389 0.141826 2.98551 0.246694 1.374791 0.307985 0.639715 0.287178 0.29483 0.178312 0.13003 0.043505 0 0 1 2.0 1.0 0.4011 1.0 0 2 1 0.0 1.0 0.4507 1.0 0 3 1 0.0 1.0 2.2988 1.0 0 0 1 0.0 1.0 0.247 1.0 0 2 1 0.0 1.0 0.1279 1.0 0 3 1 0.0 1.0 0.6511 1.0 Neon aug-cc-pVTZ-CDF 210 13 0 0 10 2.0 1.0 92.69060 -0.001978 57.82087 0.016486 35.95086 -0.075149 22.46839 0.207380 14.04772 -0.253887 4.84496 -0.065784 2.60801 0.235620 1.16230 0.458705 0.52388 0.382176 0.23033 0.096132 0 2 10 6.0 1.0 83.62965 -0.000646 52.26564 0.005290 32.639646 -0.026948 19.127791 0.081436 6.765389 0.141826 2.98551 0.246694 1.374791 0.307985 0.639715 0.287178 0.29483 0.178312 0.13003 0.043505 0 0 1 2.0 1.0 3.0272 1.0 0 0 1 0.0 1.0 0.4329 1.0 0 2 1 0.0 1.0 1.0706 1.0 0 2 1 0.0 1.0 0.3221 1.0 0 3 1 0.0 1.0 4.0786 1.0 0 3 1 0.0 1.0 1.129 1.0 0 4 1 0.0 1.0 2.5209 1.0 0 0 1 0.0 1.0 0.2179 1.0 0 2 1 0.0 1.0 0.1051 1.0 0 3 1 0.0 1.0 0.3834 1.0 0 4 1 0.0 1.0 1.0103 1.0