eminamitani / thermal_conductivity_code

Allen-Feldman thermal conductivity compatible to GULP implementation
MIT License
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algorithm for 2D system #2

Closed eminamitani closed 2 weeks ago

eminamitani commented 3 years ago

In the present code, the thermal conductivity is given as the average of the value along the 3-dimensional axis. But, such calculation is not suitable for 2D system. It is necessary to make a module to calculate 2D case.