eeqq2nqi.m

Converts the C_q and eta_q quadrupolar interaction specification convention into a 3x3 interaction matrix in Hz.

Syntax

    Q=eeqq2nqi(C_q,eta_q,I,euler_angles)

Parameters

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

    eta_q        - quadrupolar tensor asymmetry parameter

    I            - spin quantum number 

    euler_angles - vector of three Euler angles in radians,
                   giving the orientation of the principal
                   axis frame relative to the lab frame.

Outputs

    Q            - quadrupolar coupling tensor as a 3x3
                   matrix in Hz

Examples

Most quadrupolar NMR examples in examples/nmr_solids and examples/optimal_control make use of this function.

Notes

We do not recommend storing quadrupolar tensors in Cq/eta_q format - the 3x3 matrix is always better. This function is provided for historical compatibility reasons.

See also

rlx_nqi.m, castep2nqi.m, zfs2mat.m, anas2mat.m, ang2cgsppm.m, axrh2mat.m, cgsppm2ang.m, conmat.m, dictum.m, dihedral.m, frac2cart.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, spsk2mat.m, tsm2param.m, xyz2dd.m, Kernel_utilities

Version 2.2, authors: Ilya Kuprov