Well, the definition of magnetic moments is not unique and often
magnetic moments and magnetization are mixed and in particular chemistry
and physics often use different conventions.
There is something which WE would call "effective magnetic moment",
defined from the total angular momentum
Hello,
What are the units used for magnetic moment in the output? I can't find this in
the usersguide or in old emails to this list, other than this message
https://wien.zeus.theochem.tuwien.ac.narkive.com/zOaBf0py/reg-fixed-spin-moment-calculations
that implies the units are Bohr magneton,
I have not used "balence" for many years. Yes, it seems to be broken.
Anyway, it was intended for a different use and is probably obsolete.
I'll remove it from the description.
In any case, some info:
"dynamic load balencing" is ONLY possible, if the SCRATCH variable is
set to ./ and not
No, there is no such automatic option. (also for the scf cycle it works
only per full cycle, i.e. when the scf stops in lcore, everything from
the last cycle done so far is lost).
PS: Of course, one could do it manually (in case the lapw1 step takes
really long), by saving the output1 and
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