[Pw_forum] Error:too many bands are not converged

Paolo Giannozzi giannozz at democritos.it
Tue Mar 17 18:35:25 CET 2009

idoldog wrote:

> i can get a successful calculation using a large mixing_beta=16 but for mixing_beta=8 it failed.

really? mixing_beta typically is between 0.1 and 0.7

> i always meet a situation that jobs still run but it didn't output informations 
> and modify the data in out directory (just like endless loops) when i use david 
> diagonalization. that might be caused by poor resources. for cg diagonalization, 
> everything is OK. 

please provide a test job

Paolo Giannozzi, Democritos and University of Udine, Italy

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