Make a flow chart representing the procedure for the selfcon

Make a flow chart representing the procedure for the self-consistent calculation used in the DFT calculations What is the main difference between the LDA and GGA

Solution

(b) •An improvement in the accuracy provided by the LDA can be obtained by Generalised Gradient Approximation (GGA) functionals.
•These depend not just on the value of the density at a point (as in the LDA case) but also on its gradient.
•Most GGA functionals are constructed in the form of a correction term which is added to the LDA functional