Castep2nqi.m

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Converts CASTEP EFG tensor (it is printed in atomic units) to NQI 3x3 tensor in Hz that is required by Spinach. Syntax:

                    nqi=castep2nqi(V,Q,I)

Parameters:

    V   - EFG tensor from CASTEP output, a.u.
    Q   - nuclear quadrupole moment, barn
    I   - nuclear spin quantum number