Thanks,but is there only one parameter can be changed ? Is there any other
parameters?
which value of is the most smallest alpha_mix(1) that is effective ?
At 2013-04-29 17:28:05,"GAO Zhe" <flux_ray12 at 163.com> wrote:
First of all, please make sure that the model you computed has been fully
relaxed. Then, while the model was big, the lower alpha_mix(1), default as 0.7,
may be helpful for the SCF convergence during ph.x process.
--
GAO Zhe, Dr.,
Research Engineer, Quartz,
Saint-Gobain Research (Shanghai),
No. 55, Wenjing-road, Minhang-district, Shanghai, China
At 2013-04-29 09:47:18,"???" <18733462676 at 163.com> wrote:
dear all
when I computed the scf of phonon,the convergnece is always not
attained,I tried changing the "tr2_ph" and "alpha_mixing" to accelarate the
speed of convergnece ,But the results is not ideal.So i want to know what can i
do to perform the convergence of phonon.e.g.which parameters can be changed ?
??????????????
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