qpms/BUGS.rst

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