<html><head><meta http-equiv="Content-Type" content="text/html charset=us-ascii"></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space;">you need to have two &REPLICA sections..<div>Something like:</div><div><br></div><div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0); min-height: 14px;"><br></div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0); min-height: 14px;"><br></div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0);"> &REPLICA</div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0);"> COORD_FILE_NAME Start.xyz</div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0);"> &END</div><div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0); min-height: 14px;"> &REPLICA</div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0);"> COORD_FILE_NAME End.xyz</div><div style="margin: 0px; font-size: 10px; font-family: Monaco; color: rgb(245, 245, 245); background-color: rgb(0, 0, 0);"> &END</div></div><div><br></div><div><div>On 06 May 2014, at 11:06, Emile Maras <<a href="mailto:e1000...@gmail.com">e1000...@gmail.com</a>> wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><div dir="ltr">Hello.<div><br></div><div>I am trying to run a NEB calculation but it does not work.</div><div>I bet I have a silly mistake in my input file. The problem is that I do not get errors in the output file so I do not really know what to do.</div><div>I enclose my input file. As output I get the standard output (NEB.out), 8 TiO2-M1-BANDxxx.out files which are empty, 8 TiO2-M1-r-0.out files (I enclose one of them). </div><div><br></div><div>I would appreciate if anybody can spot what is wrong in my input file.</div><div><br></div><div>Thank you</div><div><br></div><div>Emile</div></div><div><br class="webkit-block-placeholder"></div>
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<span><Cp2kInputFile.in></span><span><NEB.out></span><span><TiO2-M1-r-0.out></span></blockquote></div><br></div></body></html>