Dear Wien2k users,<br> I have a question regarding definition of VZERO, what it meant by z=0.5. Is it the half way point of unit cell in the Z direction, or it is 0.5 to some other distances. We have a slab geometry and length of the vacuum and length of the unit cell are not same. <br>
Thanks for your help.<br> Sincerely,<br> Shruba<br clear="all"><br>-- <br>Shruba Gangopadhyay<br>Postdoc Term Engineer - Computational Material Science <br>
IBM Research Division<br>Almaden Research Center<br>650 Harry Road, San Jose, CA 95120<br>Office: D1-242<br>Phone: 408-927-1458<br>Cell: 216-272-9471 <div><br>'friendship doubles joys and reduces sorrows by half' (Francis Bacon).</div>
<br>