[Wien] global energy parameter

[Stefaan Cottenier]

> For my calculated system, the Fermi energy of the self-consistent solution is
> smaller than my global energy parameter. And there are no ghost bands. It
> seems that I don't understand what the global energy parameter does mean,
> because for each orbital 'l' there is a corresponding energy parameter El.
> Why do we need an extra global energy parameter?

In the (L)APW method, you use atomic like functions up to l=10 or higher 
(specified in the second line of case.in1). For those l that are listed 
explicitely in case.in1 (0 to at most 3), there is a specific linearization 
energy El. All other (higher) l use the global linearization energy.

If the global linearization energy is larger than E_F, you might use the -
in1new switch.

See http://weblog.kuleuven.be/dlcount.php?
id=iks&url=http://www.fys.kuleuven.ac.be/iks/nvsf/publications/DFT_and_LAPW.pdf
 for more explanation and examples on this topic.

Stefaan