[Pw_forum] Different results

[Lorenzo Paulatto]

In data 02 giugno 2009 alle ore 14:58:22, Rafael Julian Gonzalez Hernandez  
<rgonzalezh at unal.edu.co> ha scritto:
> !    total energy              = -3168.48291732 Ry
>      total magnetization       =     0.30 Bohr mag/cell
>
> !    total energy              = -3168.48291963 Ry
>      total magnetization       =     0.11 Bohr mag/cell


Apparently there are two solutions, with different magnetization that are  
practically degenerate in energy. If you want and try to discriminate  
between the two solution you can try and reduce the smearing parameter  
(remember to increse the number of k-points accordingly to maintain  
convergence) and repeat the calculation of the final state.

regards

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Lorenzo Paulatto
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