[Pw_forum] binding energy for bundle nanotubes
marziyeh khodadad
khodadadmarziyeh at gmail.com
Fri Dec 7 17:43:02 CET 2012
Dear QE developers,
how we can calculate the binding Energy for SiC bundle nanotubes?
the sum of total Energy of isolated nanotubes in unit cell - Total Energy
of bundle nanotube,
Or
the sum of total energy of isolated Si and C atoms in unit cell - Total
Energy of SiC bundle nanotube?
with regards,
khodadad
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