qpms/BUGS.rst

2.3 KiB

Known bugs

Wrong factor on B coefficient

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.

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)