Hi, Dimpy!<br>It is clear that you have done some typos in your input file for atomic postions as the error information indicates. Therefore, You should check your file again , to find whether your atoms are consistent with ' nat' you set for . And without your input , no body can help .<br>
<br>regards<br><div class="gmail_quote">On Tue, Aug 11, 2009 at 4:44 PM, Dimpy Sharma <span dir="ltr"><<a href="mailto:dimpy.sharma@tyndall.ie">dimpy.sharma@tyndall.ie</a>></span> wrote:<br><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
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<br>
<p><font size="2">Hi Quantum espresso users,<br>
<br>
I have tried to set up calculation in quantum espresso , however in the output file, it is showing as<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
from read_cards : error # 1<br>
wrong number of columns in ATOMIC_POSITIONS<br>
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<br>
I have given the coordinates directly from my structure as I got in Material studio, Can anybody please help me?<br><font color="#888888">
<br>
Dimpy</font></font>
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<br></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>