[Pw_forum] Convergence issues

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed May 29 09:33:23 CEST 2013


On Tue, 2013-05-28 at 19:11 -0700, Yantao Wu wrote:

> &IONS
>   ion_dynamics      = "damp"

try 'bfgs'

>   pot_extrapolation = "second_order",
>   wfc_extrapolation = "second_order"

these are useless

P.
-- 
Paolo Giannozzi <paolo.giannozzi at uniud.it>
DCFA, Univ. Udine




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