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Re: [abinit-forum] precision of complex variables


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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





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