Dear all,
I am looking for the phonon calculation of silicon
nanowire of 62 atoms and d3q calculation for the same but i got stuck in
the phonon calculation as the structure is having too many atoms and it
will take too much time.
So, is this enough to do the calculation at gamma and
x-point q-points??will it give the optimized result for phonon and d3q
calculation??or is there any other means for phonon and d3q calculation of
large structure.
Regards,
suchitra
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