[Pw_forum] Error in output file

Dimpy Sharma dimpy.sharma at tyndall.ie
Tue Aug 11 10:44:25 CEST 2009


Hi Quantum espresso users,

I have tried to set up calculation in quantum espresso , however in the output file, it is showing as 
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from read_cards : error #         1
     wrong number of columns in ATOMIC_POSITIONS
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
I have given the coordinates directly from my structure as I got in Material studio, Can anybody please help me?

Dimpy
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