[Wien] lapwso and case.vectordn

Georg Eickerling georg.eickerling at physik.uni-augsburg.de
Fri Feb 28 17:53:20 CET 2014


Dear WIEN2k users,

I am working on a "spin-orbit" case without spinpolarization at the
moment (using WIEN2k_13.1 (Release 17/6/2013)). 
I run this in two steps, I first converge a standard "run_lapw", then
"initso_lapw" and finally "run_lapw -so". 

I have a $SCRATCH set for my vectors and after the above mentioned cycle
I see non-zero length

$SCRATCH/case.vector
$SCRATCH/case.vectorso

as expected(?).

When repeating exactly the same thing without $SCRATCH set, I get an
additional
case.vectorsodn
(with non-zero length) in my working dir which is different from the
other two. 

Is there something wrong with run_lapw (i.e. there is a $scratchstring
passed to lapwso in run_lapw but this is empty in both of the above
cases) or am I doing thing the wrong way?

Thank you in advance for any help,

Georg Eickerling





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