Q about output
Junum
Usually at the end of output file such as following sentences are
shown.
All inner integrations converged
The outer integration converged
But, sometimes I got
Only the outer integration did not converge
,
3 inner integrations did not converge.
The outer integration did not converge
,or
15 inner integrations did not converge.
The outer integration did not converge
From user manual, these mean that required relative residual norm, for
my simulations 1e-05, was not reached for some orientations.
Is it correct?
What doest it mean?
Is it error or less accurate?
Please let me know.
Thank you.
Sincerely,
Jun
Maxim Yurkin
Sorry for the delay with answer.
The convergence that you mentioned is _not_ that of the iterative solver when computing the internal field on the
dipoles (which is characterized by relative residual norm. Instead it is the convergence of the Romberg integration,
which is used either for orientation averaging or for integration of the scattered field over the whole solid angle
(e.g. to compute asymmetry parameter) - see section "Romberg integration" (11.5) of the manual. This integration routine
provides an estimate of the final accuracy, usually this estimate is larger than the real error.
The output that you got means that ADDA can not guarantee that the integration was performed accurate enough. You can
either ignore this message (if you have other means to test the accuracy) or try increasing values of Jmax in file
avg_params.dat or alldir_params.dat (see corresponding sections of the manual - B.2 and B.3).
Maxim.
Junum
Sincerely,
Jun