Dear CGRocha I would like to calculate all the following information for a nanotube, how can I calculate it ? for example how to calculate a LatticeConstant for a nanotube ? how to calculate the block Latticevectors? it should be a matrix 3*3? why and how to calculate it ? it is matter if we doped for example Pt in nanotube?
LatticeConstant ? Ang %block LatticeVectors ? ? ? ? ? ? ? ? ? %endblock LatticeVectors Kind Regards Mohammad On Thu, Dec 1, 2011 at 10:21 PM, Gomes Rocha <[email protected]> wrote: > What exactly you did not understand? > > CGRocha > > On 1 December 2011 17:07, Mohammad Goodarzi <[email protected]> > wrote: > > Dear > > > > I would like to calculate following parameters for a (8,0) doped Mg > > nanotube, > > but i can not, can anyone explain how to calculate this ? > > > > I saw that Marcos mention somthing like this , but i did not fully > > understand > > http://www.mail-archive.com/[email protected]/msg02462.html > > > > can anyone explain it ? > > > > LatticeConstant > > > > %block LatticeVectors > > > > %endblock LatticeVectors > > > > > > Thanks >
