[Wien] SRC_lapwso/init.f

Peter Blaha pblaha at theochem.tuwien.ac.at
Wed Mar 5 07:23:55 CET 2014


Where is the bug ?

I think this is ok.

Am 04.03.2014 18:23, schrieb YONGBIN LEE:
> Dear Users,
>      There is an old bug  reappeared in SRC_lawpso/init.f (WIEN2k_13.1)
>
>      SRC_lapwso/init.f   line 240
>             do i=-l,l
>               do j=-l,l
>                 read(10+isi,*) rval,cval      <-----
>                 vorb(i,j)=cmplx(rval,dval)  <------
> 103   format(2f18.11)
>               enddo
>             enddo
>
>
>    Best,
>   Yongbin
>
>
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-- 
-----------------------------------------
Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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