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<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>
&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
&nbsp;&nbsp;&nbsp;&nbsp; from read_cards : error #&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; 1<BR>
&nbsp;&nbsp;&nbsp;&nbsp; wrong number of columns in ATOMIC_POSITIONS<BR>
&nbsp;%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR>
I have given the coordinates directly from my structure as I got in Material studio, Can anybody please help me?<BR>
<BR>
Dimpy</FONT>
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