[DFTB-Plus-User] Reading ESP.dat

Bálint Aradi aradi at uni-bremen.de
Mon Dec 17 16:52:46 CET 2018


Dear Francisco,

The grid indices are iterated through with the last increasing fastest.
Having specified a grid in the input with 10 x 20 x 30 points, you
should have an output with the following coordinates:

1 1 1
:
1 1 30
1 2 1
:
1 2 30
1 3 1
:
1 20 30
2  1  1
:

  Best regards,

  Bálint

-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


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