[Wien] Please don't just look at :DIS & :ENE

[Laurence Marks]

There have been several recent emails where people have been confused by
just looking at :DIS & :ENE, thinking that these are oscillating so
something is wrong. As I have mentioned before, :DIS & :ENE only show
partial information. The script Check-mixing shows the important terms,
except for the pseudo charge. It is important to look at all the terms, and
understand what they mean.

In addition, it needs to be remembered that with MSR1a the Forces are
similarly misleading. As the density converges they will converge towards
the real forces, but in general they different by 1-10 mRyd/au or even
more. Therefore oscillations are not always an issue, except for poorly
conditioned problems.

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Gyorgi
www.numis.northwestern.edu
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