qp2/scripts/functionals/do_not_touch_func/pot_xc_new_func.irp.f

19 lines
828 B
Fortran

BEGIN_PROVIDER [double precision, potential_new_functional_x_alpha_ao,(ao_num,ao_num,N_states)]
&BEGIN_PROVIDER [double precision, potential_new_functional_x_beta_ao,(ao_num,ao_num,N_states)]
&BEGIN_PROVIDER [double precision, potential_new_functional_c_alpha_ao,(ao_num,ao_num,N_states)]
&BEGIN_PROVIDER [double precision, potential_new_functional_c_beta_ao,(ao_num,ao_num,N_states)]
implicit none
BEGIN_DOC
! define here your exchange/correlation potentials for alpha/beta electrons
END_DOC
potential_new_functional_x_alpha_ao = 0.d0 ! replace by your new provider
potential_new_functional_x_beta_ao = 0.d0 ! replace by your new provider
potential_new_functional_c_alpha_ao = 0.d0 ! replace by your new provider
potential_new_functional_c_beta_ao = 0.d0 ! replace by your new provider
END_PROVIDER