[DFTB-Plus-User] Unit confusion in results of DFTB+ calculations

[Achyut Subedi]

*Energy:*

*Rydberg, Ry* 0.500000000000000E+00

*Electronvolt, eV* 0.367493245336341E-01
*kcal/mol* 0.159466838598749E-02
*Kelvin, K* 0.316681534524639E-05
*cm�-1* 0.455633507361033E-05
*Joule, J* 0.229371256497309E+18
*Hartree, Ha, au* 1.000000000000000E+00
*nm (x^-1)* 0.45563355817434E+02

Does this unit modifier listed in Appendix C of DFTB+ manual mean that 1 Ha
(au) energy is equivalent to 0.367493245336341E-01 eV?

But we know that 1 Hatree = 27.2114 eV

Can anyone suggest the following?

   1.

   What is the unit of coordinates that we get from the md.xyz file? ( If I
   want to convert it to Angstrom, what should I do? if its not in A)
   2.

   The unit of force that I get from md.out file is in au, so to convert it
   to ev/A, I need to multiply the force by (0.194469064593167E-01 : As in the
   unit modifier of manual) or 51.4220824 ( 1Hatree/Bohr = 51.4220824 eV/A)
   3.

    What will be the units of coordinates that comes in the optimization of
   geometry (geo_end.gen)

Can anyone give me a quick answer, I would be grateful.
Thank you!

-- 
Best Regards
Er. Achyut Subedi
Registered Mechanical Engineer
(IOE, TU, Nepal)
+977-9847703110
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