<html><head></head><body><div style="color:#000; background-color:#fff; font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px"><div style="margin-top: 0px; margin-bottom: 0px; font-size: 12px; line-height: normal; font-family: 'Andale Mono'; color: rgb(35, 2, 20); background-color: rgb(249, 249, 249);" dir="ltr" id="yui_3_16_0_1_1445411373824_6352" class="">I'm using the version of espresso-5.0.2 release and for the output file I'm using a regular output for pw.x run of espress-5.2.0 release </div> <br><div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"> <font size="2" face="Arial"> On Wednesday, October 21, 2015 1:53 AM, Paolo Giannozzi <p.giannozzi@gmail.com> wrote:<br> </font> </div> <br><br> <div class="y_msg_container"><div id="yiv5823140645"><div><div dir="ltr"><div>How can anybody know if you do not specify which version of pwo2xsf.sh and which file you are using?<br clear="none"><br clear="none"></div>P.<br clear="none"></div><div class="yiv5823140645gmail_extra"><br clear="none"><div class="yiv5823140645yqt7950825081" id="yiv5823140645yqt32208"><div class="yiv5823140645gmail_quote">On Wed, Oct 21, 2015 at 9:34 AM, Jaret Qi <span dir="ltr"><<a rel="nofollow" shape="rect" ymailto="mailto:jaretqi@yahoo.com" target="_blank" href="mailto:jaretqi@yahoo.com">jaretqi@yahoo.com</a>></span> wrote:<br clear="none"><blockquote class="yiv5823140645gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex;"><div><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"><div dir="ltr"><span style="color:rgb(35,2,20);font-family:'Andale Mono';font-size:12px;background-color:rgb(249,249,249);">Why I got this error:</span> <span style="color:rgb(35,2,20);font-family:'Andale Mono';font-size:12px;background-color:rgb(249,249,249);">ERROR: error reading Forces records,</span></div><div dir="ltr"><span style="color:rgb(35,2,20);font-family:'Andale Mono';font-size:12px;background-color:rgb(249,249,249);">when I se the command : </span><span style="color:rgb(35,2,20);font-family:'Andale Mono';font-size:12px;background-color:rgb(249,249,249);">pwo2xsf.sh -oc sc.out > sc1.out. The original file looks Ok!</span></div><br clear="none"><div><br clear="none"><br clear="none"></div><div style="display:block;"> <div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"> <div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"> <div dir="ltr"> <font face="Arial" size="2"> On Tuesday, October 20, 2015 12:29 AM, Jaret Qi <<a rel="nofollow" shape="rect" ymailto="mailto:jaretqi@yahoo.com" target="_blank" href="mailto:jaretqi@yahoo.com">jaretqi@yahoo.com</a>> wrote:<br clear="none"> </font> </div> <br clear="none"><br clear="none"> <div><div><div><div style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"><div><span>I tried both but got this error:</span></div><div style="margin-top:0px;margin-bottom:0px;font-size:12px;line-height:normal;font-family:'Andale Mono';color:rgb(35,2,20);background-color:rgb(249,249,249);">(standard_in) 1: syntax error</div><div>
</div><div dir="ltr" style="margin-top:0px;margin-bottom:0px;font-size:12px;line-height:normal;font-family:'Andale Mono';color:rgb(35,2,20);background-color:rgb(249,249,249);">/home/bin/pwo2xsf.sh: line 92: test: -eq: unary operator expected</div> <br clear="none"><div><br clear="none"><br clear="none"></div><div><div style="display:block;"> <div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"> <div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;"> <div dir="ltr"> <font face="Arial" size="2"> On Tuesday, October 20, 2015 12:12 AM, Paolo Giannozzi <<a rel="nofollow" shape="rect" ymailto="mailto:p.giannozzi@gmail.com" target="_blank" href="mailto:p.giannozzi@gmail.com">p.giannozzi@gmail.com</a>> wrote:<br clear="none"> </font> </div> <br clear="none"><br clear="none"> <div><div><div><div dir="ltr"><br clear="none"><div><br clear="none"><div>On Tue, Oct 20, 2015 at 7:44 AM, Jaret Qi <span dir="ltr"><<a rel="nofollow" shape="rect" ymailto="mailto:jaretqi@yahoo.com" target="_blank" href="mailto:jaretqi@yahoo.com">jaretqi@yahoo.com</a>></span> wrote:<br clear="none"><br clear="none"><blockquote style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex;"><div><div style="color:rgb(0,0,0);background-color:rgb(255,255,255);font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;"><font face="Courier New, courier, monaco, monospace, sans-serif" size="2">pwo2xsf.sh --animxsf|-a file.out sc.out </font></div></div></blockquote><div><br clear="none"><font size="2">pwo2xsf.sh -a file.out > sc.out </font><div><br clear="none"></div></div><div><div><font size="2">or</font></div><br clear="none"><font size="2">pwo2xsf.sh --animxsf file.out > sc.out <br clear="none"></font></div><br clear="none"></div><div>P.<span class="yiv5823140645HOEnZb"><font color="#888888"><br clear="none"></font></span></div><span class="yiv5823140645HOEnZb"><font color="#888888">-- <br clear="none"></font></span><div><div dir="ltr"><div><div dir="ltr"><span><span><font color="#888888">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br clear="none">
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br clear="none">
Phone <a rel="nofollow" shape="rect" href="">+39-0432-558216</a>, fax <a rel="nofollow" shape="rect" href="">+39-0432-558222</a></font></span></span></div></div></div></div><div>
</div></div></div></div></div><br clear="none"><br clear="none"></div> </div> </div> </div></div></div></div></div><br clear="none"><br clear="none"></div> </div> </div> </div></div></div></blockquote></div></div><br clear="none"><br clear="all"><br clear="none">-- <br clear="none"><div class="yiv5823140645gmail_signature"><div dir="ltr"><div><div dir="ltr"><span><span><font color="#888888">Paolo Giannozzi, Dept. Chemistry&Physics&Environment,<br clear="none">
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br clear="none">
Phone <a rel="nofollow" shape="rect" href="">+39-0432-558216</a>, fax <a rel="nofollow" shape="rect" href="">+39-0432-558222</a></font></span></span></div></div></div></div>
</div></div></div><br><br></div> </div> </div> </div></div></body></html>