Overall structure for scf ()

[hongzhouye]

Basically it should look like this (might be incomplete!)

scf (T, V, g, S, A, Enuc, C = None, nel, nbas = None, scf_param [dict]):
    initial guess:
        core guess (H = T + V)
        user input (via C)
    scf loop:
        get F (from D or diis)
        diag (F, A)
        calc err
        check convergence
    return:
        eps, C, D