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Hello,</div>
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I have the same concern but with time units when performing BOMD simulations with pw.x from QE6.4.1. I have noticed that the time unit is 4.84e-17 s (sharp) instead of 4.8378e-17 s as written in the online documentation. Note that this is only for pw.x, and
the conversion factor is correct for CPMD simulations using cp.x. But there is therefore a time discrepancy between BOMD using pw.x and CPMD using cp.x.</div>
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Xavier Bidault<br>
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<div id="divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" style="font-size:11pt" color="#000000"><b>From:</b> users <users-bounces@lists.quantum-espresso.org> on behalf of Paolo Giannozzi <p.giannozzi@gmail.com><br>
<b>Sent:</b> Thursday, January 23, 2020 4:34 AM<br>
<b>To:</b> Quantum ESPRESSO users Forum <users@lists.quantum-espresso.org><br>
<b>Subject:</b> Re: [QE-users] Physical constants conversion inconsistency</font>
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<div dir="ltr">On Thu, Jan 23, 2020 at 10:16 AM Giovanni Cantele <<a href="mailto:giovanni.cantele@spin.cnr.it" target="_blank">giovanni.cantele@spin.cnr.it</a>> wrote:<br>
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<div>maybe some developer will give you a more precise answer</div>
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<div>with no less than 15 significant digit :-)</div>
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<div>Seriously: constants are from NIST 2006 so they are not "incorrect". In my opinion there is no point in adding more digits to the results (I would even reduce the number of digits in the total energy: the final ones are noisy anyway)<br>
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<div>Paolo<br>
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<div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>
Phone +39-0432-558216, fax +39-0432-558222<br>
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