Is a set of integers, one for each -channel. IDMOD
controls how the potential parameter E
changes from one
iteration to the next in a self-consistency cycle.
IDMOD=0 lets the E 's
shift to the center of gravity of the occupied part
of the band (this is the default);
IDMOD=1 essentially freezes the logarithmic derivative of the wave function phi at the sphere radius;
IDMOD=2 freezes the E 's from
one iteration to the next.
Because data must be read for each atom, tokens are repeated (once for each class). For that reason, there is some restriction as to the order of tokens. Tokens Z=, R=, R/W=, LMX= and CONF= must follow the token ATOM= they are associated with and precede the next token ATOM=.