qpms/BUGS.rst

2.7 KiB
Raw Blame History

Known bugs

Wrong factor on B coefficient

(Probably fixed in the "calculator object" versions!) Under Kristensson normalisation (with CS = -1), my code gives B(1,0,n,n)/B(1,0,n,-n) == -(2n)! at (x,y,z) = (x,0,0) (expected plus or minus 1). A-coefficients seem to behave correctly.

Xu's antinormalisation

"Xu's antinormalisation" is broken (most likely in legendre.c and maybe also in qpms_types.h) the plane wave test fails and the spherical wave reconstruction as well (but the translation coefficients match the Xu's tables).

Translation coefficients inconsistent

The translation coefficients currently do not work correctly except for certain combinations of additional i-factors (defined by the [AB][NMF][123] macros in translations.c) and only for certain normalisations. QPMS_NORMALISATION_KRISTENSSON_CS does not work at all QPMS_NORMALISATION_NONE_CS does not work at all QPMS_NORMALISATION_TAYLOR_CS works for the following macros defined: AN1 AM0 BN1 BM0 BF0 AN1 AM0 BN3 BM2 BF2 AN3 AM2 BN1 BM0 BF0 AN3 AM2 BN3 BM2 BF2 QPMS_NORMALISATION_TAYLOR works for the following macros defined: AN1 AM2 BN1 BM3 BF0 AN1 AM2 BN3 BM0 BF2 AN3 AM0 BN1 BM2 BF0 AN3 AM0 BN3 BM0 BF2

The default behaviour is now that the QPMS_NORMALISATION_TAYLOR_CS works.

Longitudinal waves

Plane wave decompositions gives wrong value on the longitudinal part. The implementation of the L coefficients OR the longitudinal waves is thus probably wrong.

Scattering result asymmetry

The lattice scattering code (such as finitesqlatzsym-scattery.py) produces asymmetric results where one should not get them, due to the system symmetry.

It seems that the asymmetry appears mostly in the y-direction (i.e. for example the scattering/absorption cross section at k = (kx, ky, kz) is not exactly the same as k = (kx, -ky, kz).

What has been checked (hopefully):
  • The flip operators for electric waves
  • Some weird kind of rounding or other numerical error depending on the position ordering of the matrix (randomized indices give the same asymmetry).
What has not been checked (so well):
  • The x,y,z-flip operators for magnetic waves (i.e. are they really supposet to bejust the same as the operators for electric waves, just with opposite sign?)
  • zplane_pq_y
  • the translation operators

Singular value asymmetry

Similar as the scattering result asymmetry, although not necessarily only in the y-direction?

Overflows etc.

Assertion failed in gaunt_xu for test_vswf_translations.c and high values of LMAX (LMAX=25)