[Pw_forum] Transport properties

ade wale adewaleakeem12 at gmail.com
Wed May 24 13:03:26 CEST 2017


Dear all,
I trying to calculate transport properties through BoltzTraP code on
quantum espresso but my result of figure of merit for thermoelectric for
srtio3 is too high(0.9) at room temperature. whereas text saying 0.08 at
room temperature.
Is anybody with idea of how to calculate transport properties using
BoltzTraP code on quantum espresso.
Regards

Yours,
Adewale
PhD student of Materials Engineering
Universiti Malaysia Perlis, Malaysia
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