<!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"><html><head><meta content="text/html;charset=UTF-8" http-equiv="Content-Type"></head><body ><div style="font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 10pt;"><div><div style="font-family: Verdana, Arial, Helvetica, sans-serif; font-size: 10pt"><div><br></div><div><br></div><div><span class="size" style="font-size:16px">Hello,</span><br></div><div><br></div><div><span class="size" style="font-size:16px"> In the Namelist &CELL, in the card press_conv_thr the Default is 0.5 Kbar. What happens during VC-relax if the </span><br></div><div><br></div><div><span class="size" style="font-size:16px">(criteria: energy < 1.0E-04 Ry, force < 1.0E-03 Ry/Bohr, ....) are converged but the P is -0.4 kbar?</span><br></div><div><br></div><div><span class="size" style="font-size: 16px">Kindly let me know,</span><br></div><div><br></div><div><span class="size" style="font-size: 16px">Thank you,</span><br></div><div><span class="size" style="font-size: 16px">Regards,</span><br></div><div><span class="size" style="font-size: 16px">Krishnendu</span></div><div><br></div><div class="x_1645438440zmail_signature_below"><div id="" data-sigid="1388001000000078002" data-zbluepencil-ignore="true"><div>--<br></div><div><br></div><div>Dr. Krishnendu Mukherjee,<br></div><div><br></div><div>Senior Principal Scientist,<br></div><div>CSIR-NML,<br></div><div>Jamshedpur.<br></div></div></div><div><br></div><div><br></div></div><div><br></div></div><div><br></div></div><br></body></html>