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First-principles methods of calculations of electronic and optical properties of impurity ions in solids allow for a quantitative treatment of microscopic crystal field effects. In other words, they give a possibility of calculating the impurity ions energy levels for different geometric configurations of impurity centers, including changing chemical bond lengths and angles between those chemical bonds. From these calculations, it is possible to extract the distance dependence of the crystal field strength 10Dq, estimate the electron-vibrational interaction constants, Jahn-Teller stabilization energy, Huang-Rhys factors, Stokes shift between the absorption and emission spectra. The obtained results can be used not only for explanation of the already existing experimental results, but for the prediction of optical properties of new materials. In this presentation several examples of such calculations will be given in detail [1-6] along with discussion of practical importance of the obtained results and their potential predictive power. References: [1] M.G. Brik, K. Ogasawara, Phys. Rev. B 74 (2006) 045105. [2] M.G. Brik, J. Phys. Chem. Solids 68 (2007) 1341. [3] M.G. Brik, N.M. Avram, J. Phys.: Condens. Matter 21 (2009) 155502. [4] M.G. Brik, N.M. Avram, C.-G. Ma, Comput. Mater. Sci. 50 (2011) 2482. [5] M.G. Brik, C.N. Avram, J. Lumin. 131 (2011) 2642. [6] M.G. Brik, Physica B 532 (2018) 178.