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example about TaAs2 occur errors #9

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kaiqi-wang opened this issue Apr 22, 2023 · 1 comment
Open

example about TaAs2 occur errors #9

kaiqi-wang opened this issue Apr 22, 2023 · 1 comment

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@kaiqi-wang
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hello greschd,
when I copy the example about TaAs2 in the websit of https://kdotp-symmetry.greschd.ch/en/latest/example.html , I met a error like this :
image
raise ShapeError("Matrix size mismatch: %s + %s" % (
sympy.matrices.common.ShapeError: Matrix size mismatch: (48, 16) + (16, 16)

what should I do ?

@greschd
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greschd commented May 8, 2023

Thanks for reporting this. It seems to be due to changes in the sympy release 1.7.

As a workaround, the limit-upper-versions branch contains dependencies limited to versions that still work, with Python 3.6.
Except for sympy the limit may not be exact, i.e. a higher numpy or pymatgen or Python version may work, but needs testing.

I also haven't yet figured out which change in sympy is causing this incompatibility.

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