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eminamitani / thermal_conductivity_code

Allen-Feldman thermal conductivity compatible to GULP implementation
MIT License
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fix the treatment of negative frequency part #3

Closed eminamitani closed 3 years ago

eminamitani commented 3 years ago

Now, the treatment of negative frequency mode seems strange. Need to check & fix

eminamitani commented 3 years ago

fixed to output with - sign & ignore negative frequency in the calculation of mode diffusivity.

eminamitani commented 3 years ago

check for several systems completed.