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- From: Matthieu Verstraete <mjv500@york.ac.uk>
- To: forum@abinit.org
- Subject: Re: [abinit-forum] AE_files_cut3d
- Date: Wed, 28 Feb 2007 17:47:08 +0000 (GMT)
Hello Nuno,
I think all I did was add the following lines after ~l. 489 in new fhipp.f file (after the test on (it.gt.itmx)):
<<<<<
c output full all electron density
write(29,'(i6,1x,e20.14)') ninu(nc),ekin_core
c
c rho contains the density divided by r**2
c
do i=1,mmax
write(29,'(e20.14,1x,e20.14)') r(i),rho(i)
enddo
close(29)
Try it. This was quite some time ago, and the source for fhipp has also changed.
Matthieu
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================================================================
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
- AE_files_cut3d, ngalamba, 02/27/2007
- Re: [abinit-forum] AE_files_cut3d, Matthieu Verstraete, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Nuno Galamba, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Matthieu Verstraete, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Nuno Galamba, 02/28/2007
- Re: [abinit-forum] AE_files_cut3d, Matthieu Verstraete, 02/28/2007
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