<html><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:10pt"><div class="" style="">Dear everybody!!</div><div class="" style=""> </div><div class="" style=""><span style="font-size: 10pt;" class="">Sorry for bothering you! </span><br class="" style=""></div><div class="" style="">I performed cp.x simulation for </div><div class="" style="">a few weeks. When I needed</div><div class="" style="">restart it, it showed the </div><div class="" style="">the following message:</div><div class="" style=""><br class="" style=""></div><div class="" style="">%%% %%% %%% %%%% %%%% %%%% %%%%</div><div class="" style="">from cp_readfile : Error # 3</div><div class="" style="">cannot read positions from restart file </div><div class="" style="">%%% %%% %%% %%%% %%%% %%%% %%%%</div><div class="" style=""><br class=""
style=""></div><div class="" style=""><span style="background-color: transparent; font-size: 10pt;" class="">Well, </span><span style="font-size: 10pt;" class="">to avoid the loss of my directory restart, </span></div><div class="" style="color: rgb(0, 0, 0); font-size: 10pt; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; background-color: transparent; font-style: normal;"><span style="background-color: transparent; font-size: 10pt;" class="">i </span><span style="background-color: transparent; font-size: 10pt;">took the last positions in the POS </span></div><div class="" style="">file and updated the input file using the </div><div class="" style="">comand below in the card &IONS:</div><div class="" style=""><br class="" style=""></div><div class="" style=""><span style="font-size: 10pt;" class="">ion_positions = 'from_input' (2),</span><br class="" style=""></div><div class=""
style="color: rgb(0, 0, 0); font-size: 13px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; background-color: transparent; font-style: normal;"><span style="font-size: 10pt;" class=""><br class="" style=""></span></div><div class="" style=""><span style="font-size: 10pt;">Unfortunately, the code continues to try </span><br></div><div class="" style="">read the positions of the restart file </div><div class="" style="">and do not seem to read the </div><div class="" style="">recommendation (2) above, and I do not </div><div class="" style="">understand the XML file to do something.</div><div class="" style=""><br class="" style=""></div><div class="" style="background-color: transparent;">Does anyone know something about this?<br class="" style=""></div><div class="" style="background-color: transparent; color: rgb(0, 0, 0); font-size: 13px; font-family: HelveticaNeue, 'Helvetica Neue',
Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal;"><br class="" style=""></div><div class="" style="background-color: transparent; color: rgb(0, 0, 0); font-size: 13px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; font-style: normal;">Alex.</div><div class="" style="background-color: transparent; color: rgb(0, 0, 0); font-size: 13px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif;"><span style="font-style: italic;">Theoretical chemistry studant.</span></div><div class="" style="background-color: transparent; color: rgb(0, 0, 0); font-size: 13px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif;"><span style="font-style: italic;">Universidade Federa</span><span style="font-style: normal;">l de Goiás.</span></div><div class="" style="background-color: transparent; color: rgb(0, 0, 0); font-size: 13px;
font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif;"><span style="font-style: italic;">Brazil.</span></div><div class="" style=""><br class="" style=""></div><div class="" style="color: rgb(0, 0, 0); font-size: 13px; font-family: HelveticaNeue, 'Helvetica Neue', Helvetica, Arial, 'Lucida Grande', sans-serif; background-color: transparent; font-style: normal;"><br class="" style=""></div></div></body></html>