#! DCFT calculation for the triplet O2 using DC-06, DC-12 and CEPA0 functionals. 
#! Only two-step algorithm is tested.

memory 250 mb


# DC-06


#CEPA0

molecule OO {
0 3
O
O 1 R

units bohr
R = 2.000
}

set globals {
    r_convergence 12
    d_convergence 12
    ao_basis    none
    algorithm   twostep
    basis       cc-pcvtz
}

set dcft_functional dc-06
energy('dcft')


set dcft_functional dc-12
energy('dcft')


set dcft_functional cepa0
energy('dcft')

