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QuantumPackage/src/utils_complex/dump_df_ao.irp.f
2020-02-13 16:33:11 -06:00

27 lines
515 B
Fortran

program dump_df_ao
call run
end
subroutine run
use map_module
implicit none
integer ::i,j,k,mu
complex*16 :: integral
provide df_ao_integrals_complex
do k=1,kpt_pair_num
do mu=1,df_num
do i=1,ao_num_per_kpt
do j=1,ao_num_per_kpt
integral = df_ao_integrals_complex(i,j,mu,k)
if (cdabs(integral).gt.1.d-12) then
print'(4(I4),4(E15.7))',i,j,mu,k,integral,dble(integral),dimag(integral)
endif
enddo
enddo
enddo
enddo
end