[Wien] optimization reliability

[tarek]

Dear Wien2k users/team

When optimizing some structure I sometimes find an observable 
differences between my computations and the published results in 
literature!!!!

As I know DFT calculations are carried out for the ground state which 
should be different from experimental  conditions.

Therefore, should I accept the computational results at all or within 
some range???

Thanks a lot for your help

Yours

Dr. Tarek Hammad.