> I have done some calculation for La containing compounds with out > including 4f state. Now I want to do the same with including 4f state in > the calculation. So how can I include the 4f state, such that it will > consider in the calculation. And from which file I will get this > information about the basis set and the size of the hamiltonian of my > system. So, please help me in this point.
As long as you stick to regular LDA/GGA calculations (no LDA+U or hybrids), you don't have to do anything special for f-electrons. Even for La, there will be f-character in your APW+lo basis functions (and much more than just f (l=3), it goes to l_max=10 by default). Information about the basis set (linearization energies, matrix size, number of local orbitals) is found in case.scf, around the :RKM line. Stefaan
