Hi, So, how big is your (vibrating) unit cell ?, 50 atoms ?. Each atom of the unit cell is responsible for 6*50=300 rows in the *.FC file. Thus, for 600 rows you must have a unit cell of 2 atoms. I bet this is not what you want; probably your FCfirst and/or FClast are wrong.
Regards, Roberto On 10/02/2015 06:39 AM, pooja pu wrote:
hello all, i am currently trying to obtain phonon spectra using Vibra utility. i took a 2x2x0 graphene supercell with 50 atoms and run it obtained a *.FC file with 600 rows. But on running vibrator i got the following error Computing Eigenvalues and Eigenvectors At line 322 of file vibrator.f (unit = 12, file = 'graf.FC') Fortran runtime error: End of file can anybody tell what may be the possible reason.. any help is highly acknowledged... thanks pooja
