[Pw_forum] phonon calculation
nkxirainbow at gmail.com
Sat Jun 1 18:11:16 CEST 2013
Dear Banafshe Noori :
press_conv_thr is the parameter to control the final stress.
The default value for press_conv_thr is 0.5D0 Kbar, which
is good enough for most condition.
On Sat, Jun 1, 2013 at 11:45 PM, Banafshe Noori <b_noori88 at yahoo.com> wrote:
> Dear all
> I want to calculate phonon frequency. I did a relax for my system(carbon
> nanotube) and saw that the stress (Kbar) for this system is around
> (-40Kbar). How can i decrease the stress on my system, and for an acceptable
> magnitude of ferquencey, how much be the stress on system.?
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School of physics, Fudan University, Shanghai, China
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