diff --git a/src/bitmask/bitmasks.irp.f b/src/bitmask/bitmasks.irp.f index 75421967..d8580e63 100644 --- a/src/bitmask/bitmasks.irp.f +++ b/src/bitmask/bitmasks.irp.f @@ -85,7 +85,7 @@ BEGIN_PROVIDER [ integer(bit_kind), HF_bitmask, (N_int,2)] kpt=1 korb=1 do i=1,elec_alpha_num - occ(i) = korb + (kpt-1) * ao_num_per_kpt + occ(i) = korb + (kpt-1) * mo_num_per_kpt kpt += 1 if (kpt > kpt_num) then kpt = 1