Skip to Content.
Sympa Menu

forum - Re: [abinit-forum] AE_files_cut3d

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] AE_files_cut3d


Chronological Thread 
  • 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


--
================================================================
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



Archive powered by MHonArc 2.6.16.

Top of Page