[Wien] SRC_lapwso/init.f

Gavin Abo gsabo at crimson.ua.edu
Wed Mar 5 07:37:36 CET 2014


Version 11.1 had:

vorb(i,j)=cmplx(rval,dval)

"dval" was changed to "cval" in verision 12.1 
[http://zeus.theochem.tuwien.ac.at/pipermail/wien/2012-March/016517.html] to:

vorb(i,j)=cmplx(rval,cval)

In 13.1, it does appear to have "dval" again.

On 3/4/2014 11:23 PM, Peter Blaha wrote:
> 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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