<div>hi, </div>
<div>what is the unit of "Total force"in the pwscf, and what does it mean?</div>
<div>and does Ry/au equal ryd/bohr?</div>
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<div>for example: </div>
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<div>! total energy = -15.19528681 ryd<br> estimated scf accuracy < 0.00000010 ryd<br> <br> band energy sum = -3.00278508 ryd<br> one-electron contribution = -1.90959454
ryd<br> hartree contribution = 1.92327670 ryd<br> xc contribution = -3.79218415 ryd<br> ewald contribution = -11.41678483 ryd<br> <br> convergence has been achieved<br> <br>
Forces acting on atoms (Ry/au):<br> <br> atom 1 type 1 force = -0.00024330 0.00000000 0.00000000<br> atom 2 type 1 force = 0.00024330 0.00000000 0.00000000<br> <br> Total force =
0.000344 Total SCF correction = 0.000001<br> </div>
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