[Pw_forum] generating kpoint

[Shaptrishi Sharma]

Hi QE users,

I want to ask a very basis question.While doing a band structure calculation
in quantum espresso,if I vary the lattice constant of my system (when the
system has been repeated along X-axis),if the lattice constant along X axis
is 'a',the reciprocal lattice value along X axis would be bx=2pi/a.Is it
okay to divide it by desirable number of K point that we want ,suppose if I
want 10 kpoints then in that case if I start with 0 0 0 as our 1st K_point
followed by 2*bx/10,3*bx/10 ...etc upto 10*bx/10?Another question is about
the K grid,is it okay to use it for different lattice by different
parameters?

Regards

Shapt

Pune
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110128/e070a454/attachment.html>