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did a set of identical AIMD runs in Quantum Espresso give different results?</a></div>
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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?</div>
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of identical AIMD runs in Quantum Espresso give different results?</a></div>
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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 ...</div>
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mattermodeling.stackexchange.com</div>
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Would appreciate if you could share any insights you have about the question. Thank you.</div>
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Best Regards</div>
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<b>Nafiz Imtiaz</b></div>
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Graduate Student, Graduate Research Assistant</div>
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Virginia Tech</div>
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