There must be an easier way to get the density-of-states at the Fermi level then what I'm doing now, viz., using dos.x or the la2f flag and interpolating through the output. I note that pp.x has a feature "plot_num = 3" which purports to give the "local density of states at e_fermi," but I see no way of configuring the &plot namelist to yield other than a plot file.and of course the DOS at Ef is just a number. I tried scanning through the fortran source and just got more confused. Does a simple tool exist to extract this number from a full DOS calculation? If not, I might consider writing one.
BTW, Happy Columbus Day to All! Paul M. Grant, PhD Principal, W2AGZ Technologies Visiting Scholar, Applied Physics, Stanford (2005-2008) EPRI Science Fellow (Retired) IBM Research Staff Member Emeritus w2agz at pacbell.net http://www.w2agz.com <http://www.w2agz.com/> -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20081012/f262a66a/attachment.htm
