QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: wedjati on February 16, 2017, 09:29

Title: Calculating thermoelectric coefficients from transmission data outside of VNL
Post by: wedjati on February 16, 2017, 09:29

I know the transmission spectrum data can be used to calculate the Seebeck coefficient using the Thermoelectric Coefficients plugin in VNL,  but is it possible to use the raw transmission data to calculate S, G and k from a python script using atkpython (without implementing the functions explicitly)? I would like to store all the thermoelectric data in a separate file without having to save the data from each plot (from Export data..) separately and combining them.

Title: Re: Calculating thermoelectric coefficients from transmission data outside of VNL
Post by: zh on February 16, 2017, 12:03

Please refer to the discussion the following link:
http://quantumwise.com/forum/index.php?topic=1051.0

A script was provided there for the old version to calculate the thermoelectric coefficients from  the transmission data.

Title: Re: Calculating thermoelectric coefficients from transmission data outside of VNL
Post by: wedjati on February 17, 2017, 09:50

Thank you very much!