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• See Cummins H.Z.. Phys. Reports 185, 211 (1990).
• Hohenberg P., and Kohn W., Phys. Rev. 136, B864 (1964);
• Kohn W. and Sham L.J., Phys. Rev. 140, A1133 (1965)
• Zhong W., Vanderbilt D., and Rabe K.M., Phys. Rev. Lett. 73, 1861 (1994).
• Lee C. and Gonze X., Phys. Rev. Lett. 72, 1686 (1994).
• Gonze X., Charlier J.-C., Allan B.C. and Teter M.R, Phys. Rev, B50, 13035 (1994).
• Ghosez Ph., Gonze X. and Michenaud J.-R, Ferroelectrics 206-207, 205 (1998).
• Ghosez Ph., Cockayne E., Waghmare U. V., and Rabe K., Phys. Rev. B60, 836 (1999).
• URL http://www.cryst.ehu.es/icsdb/index.html
• URL http://www.iucr.org/mer-top/cif/index.html
• URL http://www-xray.fzu.cz/sgip/apright.html
• URL http://www.mapr.ud.ac.be/~caracas/ICli3t/index.html
• Toledano J.-C., Glazer A.M., Hahn Th., Parthe E., Roth R.S., Berry R.S., Metselaar R. and Abrahams S.C., Ada Crystal. A54, 1028 (1998).
• Rabe K. M. and Waghmare U. V., Phys. Rev. B 52, 13236 (1995);
• Waghmare U, V. and Rabe K. M., Phys. Rev. B 55, 6161 (1997).
• URL http://www.mapr.ucLac.be/ABINIT
• Hedoux, Grebille D., and Gamier R, Phys. Rev. B40, 10653 (1989).
• Le Bellac D., Kiat J.M., Gamier R, Moudden EL Sciau Ph., Buffat P.A., and Andre G. Phys. Rev, B52, 13184 (1995).
• H.J. Monkhorst and J.D. Pack, Phys. Rev. B13, 5188 (1976);
• H.J. Monkhorst and J.D. Pack, Phys. Rev, B16, 1748 (1977).
• Terpstra H.J., de Groot R.A. and Hass C., Phys. Rev. B52, 11690 (1995).
• B. Silvi and A. Savin, Nature 371, 683 (1995).
• Gonze X. and Lee C., Phys. Rev. B55, 10355 (1997).
• Detraux F., Ghosez Ph. and Gonze X., Phys. Rev. Lett B81, 3297 (1998).
• Schutte W.J. and De Boer J.L., Ada Cryst. B44, 486 (1988).
• B. Dam, PhD thesis (1986), U. of Nijmegen, The Netherlands.