[Wien] initial projections for wien2wannier with spin orbital coupling

[Zhu, Jianxin]

Elias, 

You are right. 

Thanks, 

Jianxin



On 12/21/14 12:11 PM, "Elias Assmann" <elias.assmann at gmail.com> wrote:

>On 12/21/2014 06:48 PM, Zhu, Jianxin wrote:
>> For the spin-orbit coupling case, w2w should run after lapwso. Is it
>> possible that the eigenvectors generated by lapwso are complex, even if
>> the eigenvectors generated by lapw1 are real (which is the case when
>> inversion symmetry is present)?
>
>In fact, you are right.  From the option handling in Œx_lapw¹:
>
>   case -so:
>     set so = 'so'
>     set sodum = 'dum'
>     set cmplx = c
>     shift; breaksw
>
>So Œ-so¹ implies Œ-c¹.
>
>
>	Elias
>
>
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