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[ilukacevic@fizika.unios.hr]

Dear prof. Gonze,

When I try to make all, then the previous error doesn't show, but I get


anaddb.F90:231.1:

 abs(rprim(1,2))=half when brav/=1
 1
Error: Unclassifiable statement at (1)
make[3]: *** [anaddb-anaddb.o] Error 1
make[3]: Leaving directory `/home/igor/test/abinit-5.8.4/src/98_main'
make[2]: *** [all-recursive] Error 1
make[2]: Leaving directory `/home/igor/test/abinit-5.8.4/src'
make[1]: *** [all-recursive] Error 1
make[1]: Leaving directory `/home/igor/test/abinit-5.8.4'
make: *** [all] Error 2


Could it be that there is smth wrong with this line. I notice that "half"
is nowhere defined above in the anaddb.F90 (unless it is defined in
fortran).


Igor

> Dear Igor,
>
> On 04 Jan 2010, at 13:11, ilukacevic@fizika.unios.hr wrote:
>
>> Dear prof. Gonze,
>>
>> thank You for Your suggestion. Anaddb works with it.
>>
>> If You don't mind, could You give me a deeper explanation why this
>> happens? Is
>> it a thing with a mrgddb code, which could be changed within it?
>>
> anaddb was rather restrictive.
> Actually, I just improved it. Could you try whether it works with the
> modification below
> using your non-modified DDB  ?
>
> Best wishes,
> X.
>
> ----------------------------------------------------------------
> Modifications for src/98_main/anaddb.F90
>
> (1) Declare
> real(dp) :: factor
>
> (2) Insert around line 282 (between the call to rdddb9 and the call to
> mkrdim) :
>
>   if(anaddb_dtset%brav/=1)then
> !  Renormalize rprim to possibly satisfy the constraint
> abs(rprim(1,2))=half when brav/=1
>     if(abs(rprim(1,2))<tol6)then
>       write(message, '(4a,i6,7a)' )ch10,&
> &     ' anaddb : ERROR -',ch10,&
> &     '  The input DDB value of brav is',anaddb_dtset%brav,',',ch10,&
> &     '  and the one of rprim(1,2) is zero.',ch10,&
> &     '  These are incompatible',ch10,&
> &     '  Action : check the value of brav and rprim(1,2) in your DDB.'
>       call wrtout(std_out,message,'COLL')
>       call leave_new('COLL')
>     endif
>     factor=abs(rprim(1,2))*two
>     acell(:)=acell(:)*factor
>     rprim(:,:)=rprim(:,:)/factor
>   endif
>
>
> Recompile, and test ...
>
>
>
>> Thank You!
>>
>> Igor Lukacevic
>
>