The ABINIT Users Mailing List ( CLOSED )

[okuno@osa.sci.jri.co.jp]

Dear Abinit Users.

Thank you for kindly responces for my question.
I'm grateful to this mailing list for your helps.

I'm recalculating my subject with 

ionmov=2
toldff = 5.0D-5
tolmxf = 5.0D-4

(I follow the tutorial 1.3 ).

Still I have not analyze the result of the calculation in detail, but 
the circumstances are imporoved. The calculation is conversed 
within 30 Broyden iteration in optimization and get the 
optimized atom position. 

I think there still remains the room for improve the calculation,
but for the time being, I'm grateful for your helps.

Sincerely.

Yukihiro Okuno