[Pw_forum] smearing and electronic temperture
bdslipun at gmail.com
Sun May 6 08:19:42 CEST 2012
i want to find the dispersion curve at 300k how can be done
because i have seen some paper related the value of electronic tempe. by
using fermi dirac smearing
is it possible in quantum espresso
how can this be done?
is there any physics of electronic temp and smearing value
this is beacause many unstable phonon modes become stable by incrising
what should be the calibaration of temp. and smearing in espresso
suggetions highly thankful
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users