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Cut3d for potential and use of V_sim


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  • From: maurosgroi@yahoo.it
  • To: forum@abinit.org
  • Subject: Cut3d for potential and use of V_sim
  • Date: Mon, 2 Jul 2007 12:35:16 +0200

Dear all,
I'm trying to plot the total KS potential of silicon using prtpot 1 in
tutorial t35.in.
I get the _POT file and I treat it with cut3d, choosing the Xcrysden format.
I obtain a series of ****** instead of the values of the potential. If I
convert instead to formatted data I have the numerical values of the
potential. What I'm missing?

Moreover, is there a procedure to use V_sim with the new etsf format? I
compiled abinit with the netcdf and etsf_io library enabled, but when I use
the netcdf format from cut3d, I get a .nc file which is not readable by v_sim
(It complains about missing atomic coordinates...).

Thanks a lot and best regards,
Mauro.



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