On Thu, 2011-09-22 at 11:29 +0300, helen at fh.huji.ac.il wrote: > My problem is that it asks me for the label and occupancy of the > wavefunctions, and I don't know what was used to generate the > fhi file on the abinit site.
guess something sensible, then verify if it works. The wavefunction label is used only for the printout of projected dos. The l value is used, but I think that the code always assume s-p-d-f ordering. P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
