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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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Brillouin-Zone Integration Options Not Found #191

Closed mrb179 closed 5 years ago

mrb179 commented 5 years ago

I am attempting to use scuff-ldos to calculate the LDOS in a periodic structure. When no options are specified to control Brillouin-zone integration, the calculation begins without issue. However, if any of the following options are specified, an unknown option error is thrown and scuff-ldos aborts.

Unrecognized Options: --BZIMethod [CC | TC | Polar]
--BZIOrder xx --BZIRelTol xx --BZIMaxEvals xx --BZSymmetryFactor [1|2|4|8]

Are these options no longer supported? If not, how can I go about modifying the default BZ integration settings? Any assistance would be greatly appreciated.

mrb179 commented 5 years ago

UPDATE It seems the issue described above only occurs when specifying Brillouin-zone integration options in a separate file (named Args) and running as: scuff-ldos < Args. If these options are instead specified on the command line: scuff-ldos (...other options...) --BZIMethod CC --BZIOrder 21 --BZSymmetryFactor 8

there are no issues.