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VASP Tutorial DielectricsRPA PDF PDF

51 Pages·2020·English
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by ['ndsram']| 2020| 51 pages| English

About VASP Tutorial DielectricsRPA PDF

This document provides information about performing calculations of dielectric properties and using the random-phase approximation (RPA) in the VASP software. It discusses the key input files needed - INCAR, POSCAR, KPOINTS, and POTCAR. It then describes how to calculate the frequency dependent dielectric function using both the independent particle approximation (IPA) and RPA. The document provides an example workflow and commands for calculating the dielectric function of SiC using both IPA and RPA. It also discusses calculating quasi-particle gaps using the G0W0 approximation and performing a partial self-consistency update in GW calculations.

Detailed Information

Author:['ndsram']
Publication Year:2020
Pages:51
Language:English
Format:PDF
Price:FREE
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