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Options to print KS potential

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  • CaesarSaladundefined Offline
    CaesarSaladundefined Offline
    CaesarSalad
    wrote last edited by
    #1

    Hello.

    Is there a way in CRYSTAL23 to output the full Kohn–Sham potential of the periodic cell? Or alternatively each component separately (nuclear potential + hartree + XC potential) Ideally in a periodic cell, maybe exported as a cube or grid file?

    Thanks in advance,

    Chris

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