[Pw_forum] Getting DOS at Fermi Energy

[Paul M. Grant]

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://lists.quantum-espresso.org/pipermail/users/attachments/20081012/f262a66a/attachment.html>