How can I estimate the uncertainty on a calculated energy value?

Cristiana Passiu uido... at
Mon Apr 24 08:55:28 UTC 2017

Dear all,
assuming that a model is correct and that the functional chosen is suitable 
for the system, is there a standard uncertainty that can be attributed to 
the final energy values? In other words, how many significative digits can 
I report in the results?

What is the default unit of measurement for the energy in the output? For 
example, if I have this in the output:

  Total energy:                                             
 ENERGY| Total FORCE_EVAL ( QS ) energy (a.u.):             

are the values in Rydberg or in Hartree? In order to convert them to eV, do 
I have to multiply them by 27.2113838668?

Many thanks,

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