[Wien] minor error in lapwso Wien2k_11.1

[Peter Blaha]

I can confirm this problem (and the solution). Unfortunately this can be
a severe bug.

It concerns all   -so -orb  calculations, where the density matrices (case.dmatup/dn)
contain significant imaginary contributions.

Thank you very much for the report !


Am 12.03.2012 15:15, schrieb 김 규:
> Dear Wien2k users,
>
> We recently changed to Wien2k_11.1 and found small bug in lapwso
>
> In the recent modification in init.f, there’s a typo in line 243
>
> vorb(i,j)=cmplx(rval,dval) :: dval -> cval
>
> -----------------------
>
> e-mail: kyoo_at_postech.ac.kr
>
> Dept. of Physics. POSTECH Pohang KOREA
>
> Magnetic Theory Group
>
> ------------------------
>
> Kyoo.Kim and B.Kim.
>
>
>
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300             FAX: +43-1-58801-165982
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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