[Wien] Spin-Orbit Initialization through w2web
ssghosh at igcar.gov.in
Sun Apr 28 12:32:48 CEST 2013
Dear Wien2k users,
This is not a querie actually but an observation. I usually initialize
initso_lapw through command line, but this time I did the initialization
(spin-orbit) for a P1 lattice with spin-polarized case through w2web just as
an exercise. I had already completed a successful run for a non-spin orbit
spin polarized case in the same directory.
Now, during the initialization of initso_lapw
The first button which asks to edit the *.inso file went well.
The second button though which asks for setting higher emax in in1 file gave
"File not found/read".
The file in1 for a P1 cell with spin polarized case does not exist though,
it is actually *.in1c.
Now, I wish to know if this could be changed/modified in w2web for
initializing such cases. I am not sure if it has already been changed in
12.1. I am using 11.1 version though.
Though this might be a minor issue, I guess it may be useful to modify the
w2web for such cases (at least for beginners)
More information about the Wien