[Wien] No convergence during Volume Optimization

[Abderrahmane Reggad]

Dear Wien Users

Sometimes , It happens that during volume optimization , the calculation
doesn't converge to the chosen energy criteria and jumps to the next point
. In this case, should we delete this point and choose another point or we
could accept this calculation.

For example , with energy criteria value of 0.0001 and with some points (we
take 3 points as example)/

-  6 percent point:

ETEST: .00083

- 0 percent point:

ETEST: .00034

- 6 percent point

ETEST: .00013

Best regards


-- 
Mr: A.Reggad
Laboratoire de Génie Physique
Université Ibn Khaldoun - Tiaret
Algerie
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