[Pw_forum] what origin of difference in obtained energy from Dmol3 and ESPRESSO?

[ehsan targholi]

hi to every one
Dear all
i have a serious problem. when i performed the attached input calculation
with ESPRESSO, i gave the total energy equal to -71.43856899 Ry that is
very different with output of Dmol3 software that gave the total energy
equal to  -210.165297Ha ( *-420.330 594 Rydberg [Ry])*.
the same calculation input has been used for both software.
I am quite confused.


best regard
Ehsan targholi
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