[Wien] Spin-Orbit Initialization through w2web

[Gavin Abo]

Are you using 11.1a [http://www.wien2k.at/reg_user/updates/]?

I don't know if the bug exist in a 11.1 version before 11.1.a:

http://zeus.theochem.tuwien.ac.at/pipermail/wien/2010-June/013240.html

On 4/28/2013 4:32 AM, Ghosh SUDDHASATTWA wrote:
> 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)
>
> Thanks
> Suddhasattwa