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Re: [abinit-forum] Problem with cut3d and Xcrysden format


Chronological Thread 
  • From: Michel Cote <Michel.Cote@umontreal.ca>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Problem with cut3d and Xcrysden format
  • Date: Fri, 6 Jul 2007 07:07:05 -0400
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If you are not use to debug fortran code, you could send your _POT file, the input used in Cut3D and the version of Abinit used.

Michel Cote

Le 07-07-06 à 06:56, Matthieu Verstraete a écrit :



you get *** because the format specification for the write in cut3d is inappropriate for the number it's writing. Either your data is corrupt (trying to write some huge number, or NaN, or something) or it is normal and the format is insufficient (and should be changed). See where in cut3d it is being printed out (your mail was not specific enough) and check at

http://www.abinit.org/package/robodoc_5.4.2/main/ cut3d_F90.html#robo198

whether the format is ok or not. The other formats will tell you whether your data is good.

have fun.

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





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