<div dir="ltr"><div dir="ltr"><br></div><br><div class="gmail_quote"><div class="gmail_attr" dir="ltr">On Sun, Apr 14, 2019 at 5:11 PM Paolo Giannozzi <<a href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr"><div dir="ltr">On Sun, Apr 14, 2019 at 3:27 PM Ian Shuttleworth <<a href="mailto:shuttleworth.ian@gmail.com" target="_blank">shuttleworth.ian@gmail.com</a>> wrote:</div><div dir="ltr"><br></div><div class="gmail_quote"><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr">I've just tried a much smaller test (12 atoms) and same problem with the xml write</div></blockquote><div><br></div>
<div>- are xml files data-file-schema (one per NEB point and per subdirectory) actually written?<br></div></div></div></blockquote><div>No </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr"><div class="gmail_quote"><div></div>


<div>- if not: is a xml file written if you run the input data for a specific point with the scf code pw.x?<br></div></div></div></blockquote><div>I'm not sure what you mean by this.</div><div><br></div><div>Do you mean launch pw.x for a single k-point (say, gamma)</div><div>What do you mean by input data, though? Do you mean take the wfc and PW.out files from a single image of the NEB and 'restart' (in a sense) using pw.x? If so, I havent tried that but I can do. </div><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;padding-left:1ex;border-left-color:rgb(204,204,204);border-left-width:1px;border-left-style:solid"><div dir="ltr"><div class="gmail_quote"><div></div>

<div><br></div><div>Paolo<br clear="all"></div></div>-- <br><div class="gmail-m_7336656583476880519gmail_signature" dir="ltr"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone <span class="baec5a81-e4d6-4674-97f3-e9220f0136c1" style="white-space:nowrap">+39-0432-558216<a title="Call: +39-0432-558216" style="margin:0px;border:currentColor;width:16px;height:16px;overflow:hidden;vertical-align:middle;float:none;display:inline;white-space:nowrap" href="#"><img title="Call: +39-0432-558216" style="margin: 0px; border: currentColor; border-image: none; left: 0px; top: 0px; width: 16px; height: 16px; right: 0px; bottom: 0px; overflow: hidden; vertical-align: middle; float: none; display: inline; white-space: nowrap; position: static !important;" src="data:image/png;base64,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"></a></span>, fax <span class="baec5a81-e4d6-4674-97f3-e9220f0136c1" style="white-space:nowrap">+39-0432-558222<a title="Call: +39-0432-558222" style="margin:0px;border:currentColor;width:16px;height:16px;overflow:hidden;vertical-align:middle;float:none;display:inline;white-space:nowrap" href="#"><img title="Call: +39-0432-558222" style="margin: 0px; border: currentColor; border-image: none; left: 0px; top: 0px; width: 16px; height: 16px; right: 0px; bottom: 0px; overflow: hidden; vertical-align: middle; float: none; display: inline; white-space: nowrap; position: static !important;" src="data:image/png;base64,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"></a></span><br><br></div></div></div></div></div></div>
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