This contains a step-by-step procedure for calculating the nonlinear optical properties of 2D materials using the ABINIT package (https://www.abinit.org/). When using ABINIT, please cite the relevant papers. There is a PDF file explaining every step of the calculations from scratch. IN addition, there are multiple directories within the zip file. optcell_0 - relax calculations optcell_3 - relax calculations band - band structure calculations shg - second harmonic generation calculations.
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This contains a step-by-step procedure to perform the calculations of non-linear optical properties of 2D materials using ABINIT package.
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