What is different between Real space and Reciprocal space ?
Real space and reciprocal space refer to different numerical techniques of performing integrals. Real space is recommended for “larger” unit cells (one cell length larger than 5 Å) where it is faster than the reciprocal space integration scheme. For smaller cells reciprocal space is recommended. Note: If you would like to perform a very accurate calculation, use reciprocal space in any case !