<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Dear Elie,<div><br></div><div> the / should go at the end of each namelist, not at the beginning. The F90 standard prescribes that a namelist named, for instance, TEST, can be accessed with</div><div><br></div><div>&TEST</div><div>...</div><div>/ </div><div><br></div><div>or</div><div><br></div><div>&TEST</div><div>...</div><div>&END</div><div><br></div><div>The namelist "cell" has not been closed in your example.</div><div><br></div><div><br></div><div>HTH</div><div><br></div><div><br></div><div>GS</div><div><br></div><div><br><div><div>Il giorno 04/giu/10, alle ore 15:25, Elie Moujaes ha scritto:</div><br class="Apple-interchange-newline"><blockquote type="cite"><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div class="hmmessage" style="font-size: 10pt; font-family: Verdana; ">Dear All,<br> <br>I am trying to relax a system using vc-relax and I am getting the following error:<br> <br><font size="4">From read_namelists : error # 1</font><br><font size="4">reading namelist cell....</font><br> <br>I have checked that the input is missing and that &ions precedes &cell in the input. Part of the input is below..Thanks<br> <br><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>/<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>&system<span> </span><o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>ibrav=<span> <span class="Apple-converted-space"> </span></span>0, celldm(1) =1.88972, nat=60, ntyp= 1, ecutwfc = 110D0 ,occupations='smearing', smearing='methfessel-paxton', degauss=0.01<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">/<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>&electrons<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>conv_thr=1.D-8,<span> </span><o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span><span> </span>mixing_beta=0.05D0,<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>mixing_mode='local-TF',<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>diagonalization='david'<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>/<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>&ions<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>ion_dynamics = 'bfgs',<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>pot_extrapolation = 'second-order',<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>wfc_extrapolation = 'second-order'<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">/<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>&cell<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>cell_dynamics = 'bfgs',<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> <span class="Apple-converted-space"> </span></span>press_conv_thr = 0.1<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><o:p><font size="3"> </font></o:p></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">CELL_PARAMETERS hexagonal<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><o:p><font size="3"> </font></o:p></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">24.527679<span> <span class="Apple-converted-space"> </span></span>0.000000<span> <span class="Apple-converted-space"> </span></span>0.000000<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">0.000003<span> <span class="Apple-converted-space"> </span></span>6.614491<span> <span class="Apple-converted-space"> </span></span>0.000000<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">0.000000<span> <span class="Apple-converted-space"> </span></span><span> </span>0.000000<span> <span class="Apple-converted-space"> </span></span>10.000000<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><o:p><font size="3"> </font></o:p></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">ATOMIC_SPECIES<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>C<span> <span class="Apple-converted-space"> </span></span>12.0107<span> <span class="Apple-converted-space"> </span></span>C.pz-vbc.UPF<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3">ATOMIC_POSITIONS angstrom<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>C<span> <span class="Apple-converted-space"> </span></span>-11.737980<span> <span class="Apple-converted-space"> </span></span>-3.561278<span> <span class="Apple-converted-space"> </span></span>0.000000<o:p></o:p></font></span></div><div style="margin-top: 0in; margin-right: 0in; margin-bottom: 0pt; margin-left: 0in; padding-top: 0px; padding-right: 0px; padding-bottom: 0px; padding-left: 0px; "><span lang="EN-GB" style="font-family: 'Courier New'; "><font size="3"><span> </span>C<span> <span class="Apple-converted-space"> </span></span>-11.057718<span> <span class="Apple-converted-space"> </span></span>-1.211571<span> <span class="Apple-converted-space"> </span></span>0.000000<o:p></o:p></font></span></div>.......<br>..............<br> <br>Elie Moujaes<br>University of Nottingham<br>NG7 2RD<br>UK<br> <br><br><hr>Get a new e-mail account with Hotmail - Free.<span class="Apple-converted-space"> </span><a href="http://clk.atdmt.com/UKM/go/197222280/direct/01/" target="_new">Sign-up now.</a><span class="Apple-converted-space"> </span>_______________________________________________<br>Pw_forum mailing list<br><a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum">http://www.democritos.it/mailman/listinfo/pw_forum</a><br></div></span></blockquote></div><br><div> <span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: medium; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div><span class="Apple-style-span" style="color: rgb(126, 126, 126); font-size: 16px; font-style: italic; "><br class="Apple-interchange-newline">§ Gabriele Sclauzero, EPFL SB ITP CSEA</span></div><div><font class="Apple-style-span" color="#7E7E7E"><i> PH H2 462, Station 3, CH-1015 Lausanne</i></font></div></span> </div><br></div></body></html>