Dear Niharika! Its very hard to answer without taking a look a look at your input file. And please mention your affiliation so that we know that whom we are interacting with..
On Wed, Aug 10, 2011 at 1:23 PM, Niharika Joshi <joshiniharika20 at yahoo.in>wrote: > Hi, > I was trying the tutorial examples for the X-ray absorption spectra > calculation for diamond. > The examples were downloaded from the following site: > http://www.ictp.it/~rgebauer/Matteo_XAS.tar.gz > when I execute the Xspectra input file the execution terminates with the > error message: wrong fft dimensions. > The Quantum esspresso version that i am using is esspresso 4.3 and > executing as stated below, > /opt/MPI/lam-7.1.4/lam/bin/mpirun -np 12 > /home/Desktop/espresso-4.3/bin/xspectra.x < input file >output file & > Any idea what could be wrong? > -Niharika > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Regards, MOHNISH, ----------------------------------------------------------------- Mohnish Pandey BTech-Mtech, IIT Kanpur Senior Project Associate, Department of Chemical Engineering, IIT KANPUR, UP, INDIA ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110810/6e1cd469/attachment-0001.htm