[Wien] How to calculate Band structure and DOS by the onsite hybrid method

[Gavin Abo]

> The main script  x_lapw has a flag " -eece " and the script x lapw1 
> doesn't
>
> I don't know what's the difference between them

x_lapw is a C shell (csh) [1] script.

Refer to what is given under section "5.1.1 Main execution script (x 
_lapw)" on page 60 in the WIEN2k 16.1 usersguide:
---------------------------------------------------------------------------
USAGE: x PROGRAMNAME [flags]

FLAGS:
...
-eece -> for hybrid-functionals (lapw0,lapw2,mixer,orb,sumpara)
---------------------------------------------------------------------------

The x is a symbolic link to the x_lapw script.

The PROGRAMNAME and [flags] are arguments [2] that are passed to the 
x_lapw script.  Thus, lapw1 is the PROGRAMNAME in the terminal command 
"x lapw1".

As the usage description shows, when [flags] is set to -eece, such that:

x PROGRAMNAME -eece

PROGRAMNAME should be replaced by only lapw0, lapw2, mixer, orb, or sumpara.

Though, I haven't figured out yet why -eece is needed for orb.  The "x 
-h orb" gives:

x orb [ -up/-dn/-ud -eece]

The dayfile for an eece calculation in an old post [ 
http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg09857.html 
] has

(x) orb -up -p

when I had some expectation from the x_lapw usage description to see 
something like:

(x) orb -up -p -eece

Though, in the 7.3 ORB section of the WIEN2k 16.1 usersguide on page 
118, it does NOT have the -eece:

x orb [ -up/-dn/-ud ]

So I would use "x orb -eece" to be safe, but I suspect that the -eece 
flag might not be needed with orb.

[1] https://en.wikipedia.org/wiki/C_shell
[2] https://en.wikibooks.org/wiki/C_Shell_Scripting/Parameters