14466: Why did a set of identical AIMD runs in Quantum Espresso give different results?, added xml files for 2 identical AIMD runs #15
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question - Why did a set of identical AIMD runs in Quantum Espresso give different results?
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question - Why did a set of identical AIMD runs in Quantum Espresso give different results?
I ran two spin-polarized AIMD calculations using QE, with identical parameters and input files. However, I observed that while in the first run, the SCF step converged without any issues, while in the second one, the SCF accuracy kept on increasing after a few steps. What could be the possible reason for this discrepancy?