Dear all
I want to calculate the total energy of a double walled nanotube
system with some changes.The count on the atom comes around 3000.Is it
possible to do such a large value of atom count for free energy calculation
in quantum espresso I want to to know the potential energy minima between
the separated nanotubes(the distance between the nanotube is varied to
compute the minima).I cannot comprimise on my atom count.Is it possible to
do such a thing.
Thank you
Kind regards,
Sakthi
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://www.democritos.it/pipermail/pw_forum/attachments/20110114/483cdffe/attachment.htm
