#! DFT Functional Test


memory 250 mb

molecule h2o {
0 1
O
H 1 1.0
H 1 1.0 2 104.5
}

set globals {
print 6
#debug 0
basis sto-3g
guess core
scf_type direct
dft_spherical_points 302
dft_radial_points 100
dft_block_max_points 400
dft_basis_tolerance 1.0E-10
reference rks
}

#set dft_functional b97
V11 = energy('b97-0')

set dft_block_scheme octree
V11 = energy('b97-0')
