UNIFIED EXPLANATION FOR OPTICAL AND ELECTRON-PARAMAGNETIC-RESONANCE SPECTRA OF CR3- REPLY( IONS IN LINBO3 CRYSTALS )

The named paper attempts to reproduce the optical and EPR spectra of C r3+ centres in LiNbO3 using ab initio calculations. This comment point s out that the data the authors claim fit their calculations are incor rect. The method of calculation is brought into further question by it s unusual predictions for sites that the named authors suggest are uno ccupied but which have experimentally been shown to be both occupied a nd spectroscopically unremarkable.