[Pw_forum] Problem in Xspectra calculation
joshiniharika20 at yahoo.in
Wed Aug 10 09:53:50 CEST 2011
I was trying the tutorial examples for the X-ray absorption spectra calculation for diamond.
The examples were downloaded from the following site:
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?
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