[Pw_forum] Questions on mg bulk calculation!

[Paolo Giannozzi]

On Sunday 15 August 2004 04:46, Adrain Zhou wrote:

> 2. Convergence problem of eigenvectors. The energy seems okay!
>   iteration #  6     ecut=    40.00 ryd     beta=0.50
>      Davidson diagonalization (with overlap)
>    WARNING:     1 eigenvalues not converged
>  warning :   1 eigenvectors not converged after   1 attemps

one eigenvector not converged usually is not a problem,
especially if self-consistency converges well: most likely 
it is an empty eigenvector

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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