[Wien] Forcing WIEN2k to work without local orbitals

Niccolò Canestrari niccolo.canestrari at gmail.com
Wed Sep 30 16:51:18 CEST 2009


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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