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Performing Bader Analysis with FHI-aims code

How to perform Bader analysis with FHI-aims code.

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SCAN TM pseudopotentials

SCAN pseudopotentials

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cube file

everything about cube file

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constrained Density Functional Theory with cp2k

A simple example for constrained DFT with cp2k

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crystal code with lc-blyp functional

using crystal to calculate scf with lc-blyp functional

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