[Pw_forum] Questions on mg bulk calculation!
giannozz at nest.sns.it
Mon Aug 16 15:56:37 CEST 2004
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 Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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