Questions tagged [boltztrap]

Questions about BoltzTraP, the software for calculating Boltzmann Transport Properties.

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6 votes
1 answer

BoltzTraP script works with which python version?

BoltzTraP code is giving errors in Quantum espresso of indentation and then Typerror: 'Float' object can not be interpreted as an integer. What should I do to run this properly? What should I update ...
8 votes
2 answers

Mobility and chemical potential

I have been studying the Boltztrap2 software to calculate the thermoelectric properties of materials. However when following the tutorial given, the Seebeck coefficient is plotted against ...
8 votes
1 answer

How to evaluate the electron relaxation time of nanostructures computationally

I am working with Si nanowires using the SIESTA ab initio code and the BoltzTraP2 Boltzmann transport equation solver. However, the output of the BoltzTraP2 code comes per relaxation time (...
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7 votes
1 answer

Comments on the electronic relaxation time variation between nanowire configurations

I am studying Si nanowires with different cross sections. In my work, I plan to evaluate the thermoelectric performance variation between different configurations. To achieve this, my current approach ...
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9 votes
1 answer

Which energy should I consider while trying to analyse the variation in transport coefficients with temperature?

I am using the BolzTraP code [I'm completely new to this code] to calculate the thermo-electric coefficients as per this tutorial. And the output file obtained from BoltzTraP is given below. The ...
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