Units of Interpolated Dynamical matrices from ifc_fourq.F90

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shane-m-omahony
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Joined: Fri Oct 06, 2017 5:47 pm

Units of Interpolated Dynamical matrices from ifc_fourq.F90

Post by shane-m-omahony » Fri Oct 06, 2017 6:02 pm

Hi all,

I'm trying to output dynamical matrices on a fine (interpolated) grid. I am calling the subroutine "ifc_fourq.F90" to give me these matrices. However, I'm not sure in what units they are output. I would expect Ha/bohr^2, but they don't seem to be in those units. Any help would be appreciated.

All the best,
Shane

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