Collecting magnetic moment in QE and OpenMX

Tomoki-YAMASHITA / CrySPY

CrySPY is a crystal structure prediction tool written in Python.

https://tomoki-yamashita.github.io/CrySPY_doc

MIT License

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Closed hikaruri closed 3 years ago

hikaruri commented 3 years ago

Dr. Tomoki Yamashita

I implemented the function of collecting magnetic moment in QE and OpenMX's interfaces.

Hikaru Sawahata Kanazawa University

Tomoki-YAMASHITA commented 3 years ago

Thank you!

Next version (0.9.0) will be released this or next month. We are employing PyXtal for structure generation.