Dear all I am doing planar and macroscopic averages of electrostatic potential for hexagonal GaN along [0001] direction, where Ga and N are arranged in separate layers like ABA'B'ABA'B'.....The distance between A and B layers is 3.73 Bohr and between B and A' is 1.21 Bohr, again for A'B', the distance is 3.73 Bohr. Can somebody guide me what should be the 'awin' parameter value to calculate the macroscopic average of a quantity along [0001] direction (which is z-direction)?
Thanks in advance. regards -- Manjusha Research Scholar Department of Chemistry Indian Institute of Technology, Kanpur U.P., India _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
