[Pw_forum] Negative Density of State

Isaiah Moses imoses87 at gmail.com
Wed May 31 20:33:46 CEST 2017


Dear Users,
Please, I'm running calculations on a monoclinic structure and obtained
some negative values of density of state.
I shall be glad to have suggestions of posible cause and how I can correct
that.

Thanks a lot in anticipation of your assistant.

dos.in file:
&DOS
    prefix  = 'Cyano'
    Emin = -25.00, Emax = 0.00
    DeltaE = 0.001,
    occupations='smearing'
    fildos = 'dos.dat'



-- 
Isaiah Abu Moses
Lecturer,
Physics Department,
University of Maiduguri,
Nigeria
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170531/8b15bca9/attachment.html>


More information about the users mailing list