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wuhanstudio / alamode-docker

Autobuild environment for scientific calculation ALAMODE which is designed for analyzing lattice anharmonicity and lattice thermal conductivity of solids.
https://store.docker.com/community/images/wuhanstudio/alamode
MIT License
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superlattices with defects or impurities #1

Open sjtu-msl opened 4 years ago

sjtu-msl commented 4 years ago

Hello, I would like to ask how to use ALAMODE to calculate the thermal conductivity of superlattices with defects or impurities?

wuhanstudio commented 4 years ago

Hi,

This repo is a docker encapsulation of the original alamode project (https://github.com/ttadano/alamode). It's been 2 years since I started this repo, and unfortunately I don't know how to deal with defects.

I think it's more appropriate to open an issue there where more researchers are familiar with the latest feature.

https://alamode.readthedocs.io/en/latest/