Execution of DDNS

The execution of the projected state density programme DDNS requires a data set with energy bands and til characters in the format described in Sect.9.4.5. The additional input shown in Table 9.6 consists of a few control parameters. 

With the sample input the state density and the number of states will be calculated at NE = 601 points distributed over an energy range EF-EB=0.6 Ry, but shifted, since MODE = 0, such that the modified EB is below the bottom of Band 1, i.e. NB1 = 1. The state densities and the number-of-states functions will be printed, NOPRT = 1, but the original eigenvalues will not, 

The NB1, NB2 parameters may be used to select certain bands from the cal- 

only the first band is included, NB2 = 1. Usually one would take 

NB1 = 1 and NB2 = Umax + 1) i.e. include band numbers 1 through 9 in the case of chromium. 

---