Hi, Dimpy! 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 .
regards On Tue, Aug 11, 2009 at 4:44 PM, Dimpy Sharma <dimpy.sharma at tyndall.ie>wrote: > > 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 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Hai-Ping Lan Department of Electronics , Peking University , Bejing, 100871 lanhaiping at gmail.com, hplan at pku.edu.cn -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090811/8bb22a96/attachment.htm
