weblab2nqi.m

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Converts the Weblab one-cone model parameters into NQI tensors used by Spinach.

Syntax

    [Q1,Q2,...]=weblab2nqi(C_q,eta_q,I,alpha,theta,phi)

Arguments

    C_q          - quadrupolar coupling constant e^2*q*Q/h
                   in Hz

    eta_q        - quadrupolar tensor asymmetry parameter

    I            - spin quantum number 

    alpha
    theta
    phi          - the three angles of Weblab cone model 
                   (see weblab_cone.png), in radians

Weblab model.png

Outputs

    Q1,Q2,...    - quadrupolar coupling tensors for the two,
                   three, four, or six sites as 3x3 matrices
                   in Hz

See also

Import, export, and visualisation


Version 2.6, authors: Ilya Kuprov