[Pw_forum] About selecting K-points in the calculation

[胡树军]

Dear Drs,

Here are many topics about the K-points selecting and I have a question. One can
select the Bravias lattice of the calculated system, like FCC, BCC, et al. and the
corresponding BZ is very simple. When choosing a "large lattice", containing about
fifty atoms or more(it is familar to investigate the impurity atoms in the
crystal) with the same symmetry as the simple lattice (containing 2 atoms for
BCC), what is the meaning of "k-points'? And after changing the symmetry of the
system, like the case of changing the zinc-blend to cubic, how can i get the
corresponding k-points from two system?

  I am so tired to deal with the inputfils because of the problem of typing
characters in PWGUI. I have brought this question before and changed the PC and
reinstalled the software, but i cannt type anything in pwgui but selecting some
items. Please help me!!!!!!!!!!!

  Best wishes.

                                         Shujun Hu