[Pw_forum] question relating to crystal optimization

[Neeraj Goel]

i have optimized CuInS2, firstly by varying lattice parameter 'a' with
respect to total energy and find the value of 'a' corresponding to the
total minimum energy, keeping the lattice parameter 'c' constant.
after that i have start varying lattice parameter 'c' and find  the
value of 'c' corresponding to the total minimum energy, this time i
have kept lattice parameter 'a' constant.
          if i calculate in this manner than there will be many
solutions of 'a' corresponding to the each value of 'c'. similar will
be the case with 'c'.

          so how will i justify the results as i have kept one
parameter constant while varing the other?

                                                                      regards
                                                                  Neeraj Goel
                                                               Indian
School of Mines Dhanbad