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- From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] precision of complex variables
- Date: Sat, 12 Aug 2006 21:56:13 +0200
Dear Deyu Lu,
In most of ABINIT, double precision is used for both real and complex data.
Some part of GW subroutines use simple precision, but this is the exception...
Regards,
Xavier
On 20 May 2006, at 02:42, dylu@ucdavis.edu wrote:
Hello, I've a question regarding the precision of complex variables, such as
omega and epsilon in a GW calculation. I'm kind of confused by the way they are handled. To be specific, in the routine to evaluate plasmon pole parameters "cppm1par.F90", they are declared as single precision:
complex,intent(in) :: epsm1(npwvec,npwvec,nomega,nq),omega(nomega)
Before being written into a SCR file, however, they are converted to double precision in wrscr.F90
complex,intent(in) :: epsm1(npwsigx,npwsigx,nomega),omega(nomega)
complex (kind(0.0d0)),allocatable :: epsm1d(:,:),omegad(:)
......
omegad(:) = omega(:)
epsm1d(:,:) = epsm1(:,:,io)
I'm wondering if complex data are treated as single precision in the main codes of abinit. If it is the case, it would deteriorate the GW results.
Thanks
Deyu
- Re: [abinit-forum] precision of complex variables, Xavier Gonze, 08/12/2006
- <Possible follow-up(s)>
- Re: [abinit-forum] precision of complex variables, Deyu Lu, 08/13/2006
- Re: [abinit-forum][abinit-developper] precision of complex variables, Damien Caliste, 08/14/2006
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