On Sep 16, 2010, at 22:22 , J. D. Burton wrote: > Where does the pp.x program get the value of degauss that it uses > to smear out the eigenvalues for the ldos calculation? I want to > try changing this to see what happens to the result. >
the value of degauss (and of "ngauss", used to select the kind of smearing) > is read from the xml data file, if present. Rather than trying to locate where it is read, take inspiration from PP/dos.f90 (search for "gauss") P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
