This key sets technical parameter used in the search for the Fermi energy, which is carried out at each cycle of the SCF procedure. All applicable options must be specified, if at all, in separate records in the data block.
Maximum number of attempts to locate the Fermi energy accurately. Default 50. The procedure is iterative in nature, narrowing the energy band in which the Fermi energy must lie, between an upper and a lower bound. If the procedure has not sufficiently converged within maxtry iterations, the program takes a reasonable value and constructs the charge density by interpolation between the functions corresponding to the last used upper and lower bounds for the Fermi energy
Converge criterion: upper and lower bounds for the Fermi energy and the corresponding integrated charge volumes must be equal within delta. Default 1e-4
After convergence of the Fermi energy search procedure, a final estimate is defined by interpolation and the corresponding integrated charge volume is tested. It should be exact, to machine precision. Tested is that it deviates not more than eps. Default 1e-10
