Hello,
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.
Thanks in advance,
Robert Stanton
Clarkson University
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