CLENSHAW_NGRID
CLENSHAW_NGRID
Number of grid points for the Curtis-Clenshaw quadrature.
TYPE:
INTEGER
DEFAULT:
40
OPTIONS:
RECOMMENDATION:
Use default.
Example 6.23 Example of RI-DRPA with RHF orbitals applied to a water dimer
$molecule 0 1 O -2.766559 0.187083 0.566918 H -3.696304 1.179189 -0.642507 H -3.395838 -1.509891 0.389284 O 2.587035 0.275900 -0.746442 H 3.579141 0.918407 0.633058 H 0.852266 0.311805 -0.156847 $end $rem METHOD RIDRPA BASIS cc-pvdz AUX_BASIS_CORR rimp2-cc-pvdz UNRESTRICTED false THRESH 14 INPUT_BOHR true SCF_CONVERGENCE 8 SCF_ALGORITHM gdm MAXSCF 1000 SCF_GUESS sad CLENSHAW_NGRID 40 !number of grid points for the Curtis-Clenshaw quadrature INTEGRAL_SYMMETRY false $end