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Add PWmat module (io, calculator)

Dirtyworker requested to merge lhycms/ase:pwmat into master

Here: Add IO and calculator modules to PWmat which is a DFT software.

PWmat is a DFT software that runs on GPU/CPU, developed under the leadership of processfor Lin-wang Wang. I have been using PWmat for high-throughput computing and I hope to contribute my code to help more people conveniently use PWmat.

This submission includes some basic features:

  1. Reading and writting structural files, which named 'atom.config'/'final.config'.
  2. Reading the output file which is named REPORT.
  3. PWmat calculator (its function is not yet perfect compared to VASP calculator).

I am working hard to familiarize myself with the ase code, and I will continue to improve these modules in the future.

Checklist

Edited by Dirtyworker

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