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This repository contains code to be used with the photoemission module of the OptaDOS code.

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photoemission

This repository contains code to be used with the photoemission module of the OptaDOS code.

The intial version of the workflow aims at calculating the photoemission from polycrystalline samples. This is achieved by simulating the QE of different surface and calculating the weighted average. The weights of a surface is obtained from the % of such surface in a Wulff construction.

The long term goal of this project is to offer a comprehensive workflow that allows for the calculation of electronic structure and photoemission related properties for a wide range of materials.

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This repository contains code to be used with the photoemission module of the OptaDOS code.

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