Dear Siesta gurus,
I encovered very strange phonomenon (at least strange
to me). After running above the limit number of max
optimization steps, I took the last gemoetry and
restartarted the calcualtion. The initial energy at
the first calculation came different than at the last
calculation for the previosu run for the same
geometry. Does anyone has a clue why this can happen?
Thank you in advance for the hint.
Best regards,
Anatoli Korkin
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