[DFTB-Plus-User] Covergence issue

Georgeta Ungureanu georgeta27 at gmail.com
Mon Sep 29 05:57:08 CEST 2014


Hello

Can someone help me to understand why if I use exactly the same geometry
input file, and running the same calculation several times in different
directories, I get different values in total energy for a nanotube? This
happens on the 5th or 6th decimal.

Thank you in advance,
Georgeta
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