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General Questions and Answers / Changing Mass of Silicon
« on: October 23, 2019, 11:12 »
Hey, I want to calculate phonontransmission through the interface between Silicon and Heavy Silicon (Silicon Isoptope).
First I created an entire Si supercell, then plan to change the masses of the latter half silicons, using the method explained in the below tutorial (doping isotope into CNT by creating a new C14 class).
https://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html
However, When I checked one of the latter half silicons, its elements' class and mass in fact remained unchanged (as you can see from the log file).
Is this a problem with a version of my ATK (Mine is 2018) or is there other errors in this code?
Thanks in advance!
First I created an entire Si supercell, then plan to change the masses of the latter half silicons, using the method explained in the below tutorial (doping isotope into CNT by creating a new C14 class).
https://docs.quantumwise.com/tutorials/thermoelectrics_cnt_isotope/thermoelectrics_cnt_isotope.html
However, When I checked one of the latter half silicons, its elements' class and mass in fact remained unchanged (as you can see from the log file).
Is this a problem with a version of my ATK (Mine is 2018) or is there other errors in this code?
Thanks in advance!