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Re: [abinit-forum] Al2O3 and Cut3d


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  • From: verstraete@pcpm.ucl.ac.be
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Al2O3 and Cut3d
  • Date: Fri, 26 Sep 2003 14:16:53 +0200 (CEST)


In response to the question about xcrysden:

The .xsf file you generated gave the grid dimensions wrong. The line
after DATAGRID_3D_DENSITY was
"2*27, 72,"
instead of
"27 27 72"

I don't know where it came from, but that's all you have to fix.
I'll check the source in cut3d. Is it possible you changed the .xsf by
hand?


Matthieu


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Matthieu Verstraete mailto:verstraete@pcpm.ucl.ac.be
PCPM, Boltzmann, pl. Croix du Sud, 1 tel: 010/ 47 86 81
B-1348 Louvain-la-Neuve Belgium fax: 010/ 47 34 52



  • Al2O3 and Cut3d, Amancherla, Sundar (CORP, GEITC), 09/26/2003
    • Re: [abinit-forum] Al2O3 and Cut3d, verstraete, 09/26/2003

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