Dear all, <br> I have created the above inputfile, and when i visualize it in xcrysden, there is bonding between two magnesium<br>atoms which is not supposed to be the case. I have tried changing the lattice parameters but it doesn't seem to be<br>
working. Can any one help?<br clear="all"><br>Mulwa Winfred.<br>M Phil Student, Computational Material Science Group,<br>Chepkoilel University College<br>Eldoret, Kenya.<br><br>