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["zyg" <zhengyg@126.com>]

Dear Matthieu,

 

In 18seqpar/loper3.F90, I replaced the call for the 'symkpt' subroutine as follows,

 

...

 

!     call symkpt(gmet,indkpt1_tmp,dtset%kptns,nkpt,nkpt_rbz,&
!     nsym1,option,symrc1,timrev_pert,dtset%wtk,wtk_folded)

 

! YG, 20070726, ------->
     nkpt_rbz = nkpt
     do ikpt=1,nkpt_rbz
       indkpt1_tmp(ikpt) = ikpt
       wtk_folded(ikpt) = dtset%wtk(ikpt)
     end do
! YG, 20070726, <-------

 

...

 

I run ABINIS with telphon_1.files to get the 1WF files for telphon_4, then run ANADDB with ifltransport=1 and I can get the _RHO file. Is this modification right? What are the units for the 2nd and 3rd rows in the _RHO? Thanks.

 

Best regards,

Yonggang

在2007-07-11，"Matthieu Verstraete" <mjv500@york.ac.uk> 写道：

> That's all I can think of - I had the same error and using kptopt 3 fixed 
>
> it... Of course remember this is all still experimental. Only a few tests 
>
> have been made by the developper and no published results yet!
>
>
>
> Matthieu
>
>
>
> -- 
>
> ================================================================
>
> Dr. Matthieu Verstraete                 mailto:mjv500@york.ac.uk
>
> Dept. of Physics, University of York,     tel: +44 1904 43 22 08
>
> Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14

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