Does Thermo_Pw and BoltzTrap work on windows?

29 December 2020 1 7K Report

Hello everyone

This is regarding finding elastic and transport properties of a material using the above mentioned softwares. Right now I am using Quantum Espresso to find out the structural, electronic and magnetic properties of my material. I have got windows, so if anybody has performed the calculations using these softwares on windows, please help. Please tell me , how to proceed.

Thanks

Arunkumar Rajasekaran

I am not sure if there exists an analogue windows package for BoltzTrap. I have tried it on Linux. But the recent addition of WSL ("windows subsystem for Linux") in windows should be of interests to you. I have myself tried BoltzTrap both on WSL1 and WSL2 (newer version) and under ubuntu distribution.

Install WSL, install a Linux distribution of choice, put the output files from quantum expresso into relevant linux directory, and then run boltztrap script!

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