hartree2joule.m

Converts Hartree energy units into J/mol. A Hartree is twice the ground state ionisation energy of the hydrogen atom.

Syntax

    energy=hartree2joule(energy)

Parameters

    energy  - a numerical array of energies in
              Hartree units

Outputs

    energy  - a numerical array of energies in 
              Joules

See also

castep2nqi.m, cgsppm2ang.m, eeqq2nqi.m, gauss2mhz.m, icm2hz.m, zfs2mat.m, anas2mat.m, ang2cgsppm.m, axrh2mat.m, conmat.m, dictum.m, dihedral.m, frac2cart.m, g2freq.m, ham2nqi.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 2.3, authors: Ilya Kuprov, Elizaveta Suturina