[Pw_forum] Energy convergence in a scf calculation

[Dimpy Sharma]

Hello there,

One of my scf calculation is running ( not yet finished), it has completed almost 10 iterations, however what I have found is in iteration #8, it is showing me as 

    CG style diagonalization
     c_bands:  3 eigenvalues not converged
     c_bands:  5 eigenvalues not converged
     ethr =  1.00E-02,  avg # of iterations =  8.6

After that it is still running and moved to iteration #10. Also I have seen that in some of the iteration steps the energy is either increasing or decreasing in the successive steps;i.e it is not converging .My thresold values are as follows
 etot_thr= 1.D-8
 forc_thr values =1.D-8Ry 
 conv_thr = 1.0D-8Ry .
 ecutwfc=35Ry
 ecutrho=120Ry
So can anybody tell me why is it happening so? 

Thanks

Dimpy
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