[DFTB-Plus-User] Reading ESP.dat

Francisco Adasme francisco.adasme at gmail.com
Fri Dec 14 20:04:51 CET 2018


Dear developers,

I'd like to know how the electrostatic potential output (ESP.dat) is
written when specifying a grid. I couldn't understand from the code the
order in which the values are written as fortran is foreign to me. Please
explain it for an example grid of 10, 20 and 30 points.

Best regards,
Francisco
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