The first column gives the position along the reaction coordinate while the second column gives the energy difference between the first image and the images corresponding to the position. Note that this is obtained by doing an interpolation.<br>
<br>Prasenjit<br><br><div class="gmail_quote">2008/6/12 احسان عريقات <<a href="mailto:ihsanas@yahoo.com">ihsanas@yahoo.com</a>>:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
Hi<br>
thank you for replying , I have another question from the output of the neb there is a file ---.int it consists of two columns .what is the meaning of each column .<br>
best regards<br>
Ihsan A.Erikat<br>
Jordan -physics department<br>
<br>
<br>
<br>
_______________________________________________<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" target="_blank">http://www.democritos.it/mailman/listinfo/pw_forum</a><br>
</blockquote></div><br><br clear="all"><br>-- <br>PRASENJIT GHOSH,<br>POST-DOC,<br>ROOM NO: 265, MAIN BUILDING,<br>CM SECTION, ICTP,<br>STRADA COSTERIA 11,<br>TRIESTE, 34104,<br>ITALY<br>PHONE: +39 040 2240 369 (O)<br> +39 3807528672 (M)