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<p><tt>if the calculation is done with the pwscf code (pw.x) units
of energy are Ry and unit of forces are Ry/Bohr</tt></p>
<p><tt>default force threshold is 1.d-3 ~ 26 meV/A</tt></p>
<p><tt>stefano</tt><br>
</p>
<div class="moz-cite-prefix">On 19/10/19 02:28, Robert Stanton
wrote:<br>
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cite="mid:CABYtNnGAZOgh2M-KN1ozkppcV1AP1zfEXOOUEwGp5BrCX_vc7w@mail.gmail.com">
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<div>Hello,</div>
<div><br>
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<div> I am seeing a lot of people having numbers of around
.2eV/A, or 2 to some power of 10 for force_conv_thr when
reading papers which have used Quantum Espresso. I am not
seeing how they are getting to this. I am taking force in a.u.
to be Hartree/Bohr and converting this to eV/A as a multiple
of ~51. I just want to double check that I am not
misinterpreting that force convergence is being given in
Hartree/Bohr or something. It seems strange that many people
would be putting in 4* something in as a threshold, so I am
guessing I'm missing something. Any information would be
greatly appreciated.<br>
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<div>Thanks in advance,<br>
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<div dir="ltr">Robert Stanton</div>
<div>Clarkson University</div>
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