how to learn LDA and GGA methods ? how to calculate band gap of semiconductor using them ?
Usually you need to build a crystal structure, then perform geometry optimazation, after that you can calculate the band structure and density of states. To get an accurate band gap, LDA+U treament is necessary.
i just started my work. i want to learn LDA method.
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Asking this as Google forms doesn't allow multiple items in a semantic differential format.
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