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 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110810/f6102040/attachment.htm
