[Wien] Forcing WIEN2k to work without local orbitals

[Peter Blaha]

There is no automatic way, but of course you can change case.in1 by hand
as you like.
However, I expect that without "deeper knowledge of the LAPW-method" I'd 
expect you will get "nonsense", ghostbands, missing states or at least 
rather inaccurate results.
The original "LAPW" method was not secure (or not accurate) for most 
elements of the periodic table.

> Does exist a way to force WIEN2k to play without local orbitals?
> If I change by hand case.in1:
> - delete line with lo
> - change the number ndiff (number of exceptions)
> the next lapw1 crash, while reading a file.
> So it seems to be rough. I need to change some other files (maybe for 
> consistency)?
> Or there is a smart way to force lstart to don't set up the calculation 
> with local orbitals?
> 
> best regards,
> 
> 
> -- 
> Niccolò Canestrari
> 
> 
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