memory 64 Gb

molecule test {
  0 15
Gd -1.477993 -0.318871  0.0 
Gd  1.623223 -0.043134  0.0 
N   0.039656  1.260848  0.0 
N  -1.160547  1.740903  0.0 

units angstrom
}



basis {
   assign Gd x2c-tzvpall
   assign N def2-tzvp
}

set DOCC [    44,   20 ]
set SOCC [     9,    5 ]

#not work
#set dft_spherical_points 590
#set dft_radial_points 99

set soscf true
set soscf_max_iter 35

set DIIS_MAX_VECS 10


set DAMPING_PERCENTAGE 30.0
set MAXITER 150




set relativistic x2c 

set guess core

set DF_BASIS_SCF x2c-jfit
set reference uks
set print_MOs true
E=energy('pw91')