HomerReid / scuff-em

A comprehensive and full-featured computational physics suite for boundary-element analysis of electromagnetic scattering, fluctuation-induced phenomena (Casimir forces and radiative heat transfer), nanophotonics, RF device engineering, electrostatics, and more. Includes a core library with C++ and python APIs as well as many command-line applications.
http://www.homerreid.com/scuff-em
GNU General Public License v2.0
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Cas-Pol Potential by a PEC Plate Described with a Geometry File #223

Open congzlwag opened 4 years ago

congzlwag commented 4 years ago

Hello the dedicated developers of scuff-em,

I am testing scuff-caspol in a simplistic situation where there is only a PECPlate and a Rb atom. Instead of invoking the --PECPlate option, however, I am inputing a geometry file to fully verify its calculation of Green's tensor from finite element geometry files. The mesh file UnitPlate_52.msh (with a redundant .txt allowing to upload) looks like

Screen Shot 2020-04-27 at 14 30 46

whose dimension is 0.01x0.01 and normal vector is along -z . Correspondingly the geometry file Plane_52.scuffgeo is

LATTICE VECTOR 0.01 0.00 VECTOR 0.00 0.01 ENDLATTICE

REGION PlateVol MATERIAL PEC

SURFACE Plane MESHFILE UnitPlate_52.msh REGIONS Exterior PlateVol ENDOBJECT

where I took special care to the ordering of REGIONS according to doc on scuff-em geometry so that the z>0 region will be in vacuum and I can evaluate the potential along that half axis, see EPFile.

It turns out to have no meaningful outcome because every output value in .byXi or .byXikBloch is nan. My command was scuff-caspol --geometry Plane_52.scuffgeo --EPFile EPFile --Atom Rb --BZIMethod TC --BZIOrder 9 --BZSymmetryFactor 8. Although the sampling in the BZ is really coarse, I was expecting it to at least offer some less accurate results rather than nan. I am practically running the patched version #222. The log file is scuff-caspol_52.log.

I preliminarily identify the issue to be with the Green’s tensor calculation from the geometry file, because when I replace it with the analytical form of the Green’s tensor by invoking the option –PECPlate the results are correct. Any suggestion or help will be highly appreciated!