[Pw_forum] Error:too many bands are not converged

idoldog idoldog at gmail.com
Tue Mar 17 17:58:48 CET 2009

> You may reduce your mixing parameters: mixing_beta or change the scheme of
> diagonalization.

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

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. 

All best

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