hello, yes my *.FC file has 601 rows...... the first row has "Force Constant" written and then it has 600 rows with 3 collumn.... here is that .FC file and a input FCbuilder fdf.
thanks pooja On Fri, Oct 2, 2015 at 6:10 PM, RCP <[email protected]> wrote: > Just a small bit: strictly your FC file must containt 600+1 rows. > R. > > On 10/02/2015 09:28 AM, pooja pu wrote: > >> 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] >> <mailto:[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 >> >>
graf.FC
Description: Binary data
FC.fdf
Description: application/vnd.fdf
Cuu.fdf
Description: application/vnd.fdf
