The CITATION code based on neutron diffusion theory is used for flux calculation inside voluminous sample in prompt gamma
activation analysis with an isotopic neutron source (241Am-Be). The code used the specific parameters related to energy spectrum source, irradiation system materials (shielding,
reflector, etc.), geometry and elemental composition of the sample. The flux distribution (thermal and fast) was calculated
on three-dimensional geometry for the system: source, air, and polyethylene and water cylindrical sample of 125 liters. The
thermal flux was calculated in series of points inside the sample, and agreed with the results obtained by measurements with
good statistical uncertainty. The maximum thermal flux was measured at distance of 4.1 cm and calculated at 4.3 cm by the
CITATION code. Beyond a depth of 7.2 cm, the ratio of thermal flux to fast flux increases up to twice and allows us the optimization
of the detection system in the scope of in-situ PGNAA.