Hello Yes it has two atoms in the unit cell the fcfirst and fclast are at 26 and 27 atom.
Thanks a lot Pooja On 2 Oct 2015 17:50, "RCP" <[email protected]> wrote: > > 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
