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RuntimeWarning: overflow encountered in exp is triggered.
This happens if the temperature is low and mode frequencies are high, I encountered this with an Ammonium Sulphate calculation that I have (mode frequencies up to 425 meV) and a temperature of 5K, but you can reproduce this with any material if you set the temperature to a silly small value.
I don't think we need to change the result (we get an infinite exponential and then bose = 0 which is what we want), but when using euphonic-powder-map it screws with the progress bar so we may want to hide this warning sometimes.
The text was updated successfully, but these errors were encountered:
Sometimes on this line in
StructureFactor._bose_factor
:Euphonic/euphonic/structure_factor.py
Line 338 in ef49d8b
RuntimeWarning: overflow encountered in exp
is triggered.This happens if the temperature is low and mode frequencies are high, I encountered this with an Ammonium Sulphate calculation that I have (mode frequencies up to 425 meV) and a temperature of 5K, but you can reproduce this with any material if you set the temperature to a silly small value.
I don't think we need to change the result (we get an infinite exponential and then
bose = 0
which is what we want), but when usingeuphonic-powder-map
it screws with the progress bar so we may want to hide this warning sometimes.The text was updated successfully, but these errors were encountered: