[Pw_forum] geometry optimization

[mohnish pandey]

Dear users!
                  I am trying to calculate equilibrium lattice constant for
wurtzitic and graphitic structure of zinc oxide by 'vc-relax' but this is
breaking the symmetry means the final positions of Zn and O are different
from where it should be in wurtzitic and graphitic structure. Can anybody
please help me how I can fix this problem by preserving the symmetry and
getting eqb. lattice constan.?

PS: I have gone through many tutorials availble for pwscf, but unluckily i
didnt found it.

Heartly thanks in advance,
Mohnish

-- 
Mohnish Pandey
Y6262,4th Year Undergraduate,
Department of Chemical Engineering,
IIT KANPUR
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