What is the unit of force in SiC structural optimization?

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The discussion centers on the unit of force used in the structural optimization of SiC in a simulation involving graphene and carbon nanotube growth. The paper references a maximal force component of 1x10^{-4} Ha/a_o, leading to confusion about the unit's interpretation. It is clarified that Ha refers to Hartree, which is a unit of energy, and a_o represents the Bohr radius, suggesting a conversion to eV/Å is necessary for clarity. The conversation also humorously touches on the potential confusion with "ha" as hectares, emphasizing the importance of correct notation. Understanding these units is crucial for accurate computational modeling in materials science.
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I'm reading a paper on a simulation of graphene and carbon nanotube growth on SiC, in the paper they give a few computational details about the structural optimization of the SiC model using a conjugate gradient method and they state the maximal force component as
1x10^{-4}Ha/a_o

What is this unit? I'm assuming Ha per angstrom...but Ha seem to be a unit of area...I need to convert to eV/Angstrom
 
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I would have guessed that
Ha = Hartree https://en.wikipedia.org/wiki/Hartree
##a_0## = Bohr radius.

And that gives you energy per unit length, which is what you need.

(ETA: If it were lowercase "ha" would be "hectare" -- if that's what you were thinking. Angstrom is written like Å not ##a_0##)
 
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When I bought carpet for my house it came on a roll that covered 5 x 10-14 hectares per Ångstrom :wink:
 
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