[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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