Wrong math for Debye Waller Factor in x-Ray class #148
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Wrong math in ref/trans factors for Debye Waller Factor: Units cell Class requires de_wal_fac in units of m^2. The math in get_atom_reflection/trasmission_factor, requires the unit of m instead of m^2. Also the comment section shows different equations as used in the function.
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Hi @jpudell many thanks for revising the code and math! However, I think the code in the Could you also point explicitly to the difference between docstring and code equations? |
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Hi dschick, both is possible. In the literature it is more common to use the < u >^2 for the Debye Waller instead of < u >. In the Matlab version < u >^2 is used, so I suggest to also use it here. The doc string was correct for the < u > version. (I mixed up / and ...) and corrected it for the < u >^2 version. |
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Wrong math in ref/trans factors for Debye Waller Factor: Units cell Class requires de_wal_fac in units of m^2. The math in get_atom_reflection/trasmission_factor, requires the unit of m instead of m^2. Also the comment section shows different equations as used in the function.