<p>The forces are fine.</p>
<div class="gmail_quote">On Jul 28, 2011 4:55 AM, "David Tompsett" <<a href="mailto:dat36@cam.ac.uk">dat36@cam.ac.uk</a>> wrote:<br type="attribution">> Dear All,<br>> <br>> I have a question about the forces obtained when using TETRA in metallic<br>
> systems. I read in the 1994 Blochl paper that the Blochl Tetra method is not<br>> variational with respect to partial occupancies. Does this mean that the<br>> total energy from Tetra is not smoothly variational wrt. to partial<br>
> occupancies?<br>> <br>> Therefore, can I trust the calculated forces in a metallic system?<br>> <br>> Can I use the total energy from Tetra for metals reliably?<br>> <br>> Many thanks for any help,<br>
> David Tompsett.<br></div>