[Pw_forum] carbon nanotube & copper chain

[chengyu yang]

Dear Hui Wang,
       But under such a case, should I using what kind of k-point? As
following:

K_POINTS { tpiba | automatic | crystal | gamma }

   gamma    : use k = 0 ( do not read anything after this card )
              Note that a set of subroutines optimized for clculations at
              the gamma point are used so that both memory and cpu
requirements
              are reduced
   automatic: automatically generated uniform grid of k-points
              next card:
   nk1, nk2, nk3, k1, k2, k3
              generates ( nk1, nk2, nk3 ) mesh with ( k1, k2, k3 ) offset
              nk1, nk2, nk3 as in Monkhorst-Pack grids
              k1, k2, k3 must be 0 ( no offset ) or 1 ( grid displaced
              by half a grid step in the corresponding direction )
              The mesh with offset may not work with tetrahedra.
   crystal  : read k-points in crystal coordinates
   tpiba    : read k-points in 2pi/a units ( default )
              next card:
   nks
              number of supplied special points
   xk_x, xk_y, xk_z,  wk
              special points in the irreducible Brillouin Zone
              of the lattice (with all symmetries) and weights
              If the symmetry is lower than the full symmetry
              of the lattice, additional points with appropriate
              weights are generated

===================================

And to save the time, what should I put in here?
k point
1 1 4
will be OK? Or either integer will be OK?

I am sorry for my bluntness.

Chengyu Yang
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