<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> Moreover, this statement:<div><br><div><div><div>On 8 May 2008, at 10:18, Bart De Sterck wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">In the code, it says that you cannot use GGA functionals with the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">STRESS_TENSOR calculation, so I used the PADE functional. When running</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">a NVT simulation, no problems arise even when the calculation of the</font></p> </blockquote></div><br></div><div>is not correct. STRESS_TENSOR for LSD/GGA is not implemented. </div><div>GGA normally works with DFT.</div><div><br class="webkit-block-placeholder"></div><div>Teo</div></div></body></html>