[Wien] initial projections for wien2wannier with spin orbital coupling

[Elias Assmann]

On 12/20/2014 02:52 AM, Oleg Rubel wrote:
> The 'x' script looks into the structure file and determines which
> version to execute:
>
> set cmplx1=`cut -b -6 $file.struct |awk 'BEGIN{c="c"};{if ($0 == "-1 0
> 0") {getline; {if ($0 == " 0-1 0"){getline; {if ($0 == " 0 0-1"){c=
> ""}}}}}};END{print c}'`
> if !($?cmplx) then
>    set cmplx=$cmplx1
>    if($cmplx == c ) set cmplx2='-c'
> endif
>
> The earlier version of w2w was executed without the 'x' script and users
> had to select between complex/real version with the '-c' option, if I
> recall it correctly.

All true.  ‘w2w’ will still need the ‘-so’ switch though, and to be 
called separately for ‘-up’ and ‘-dn’.

Note that the real/complex versions expect different vector files, so I 
think it will *not* be okay to run (complex) ‘w2wc’ on a (real) vector 
generated by ‘lapw1’.


	Elias