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    #1 Multiwfn and wavefunction analysis About possibility the calculation ELF from electron density. 2022-04-23 00:55:57

    T_Takeda
    Replies: 1

    Dear developers,

    Let me ask about calculation of ELF.

    I calculated DFT of a periodic crystal with OpenMX software, which can export total electron electron density information as a Gaussian cube file.
    However, present OpenMX cannot output its Laplacian, or ELF.

    So I am wondering Multiwfn can calculate ELF directly from the obtained cube file of electron density.

    Your Sincerely,

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