Hi,
Go to Vibra/Src
open a terminal in the directory Src
make clean
open Vibra.hat the the end of the file:
integer maxa,maxasc,maxx,maxy,maxz,maxd
parameter (maxa = 8)
...................................................................... 8=
2*2*2
parameter (maxx = 2)
parameter (maxy = 2)
parameter (maxz = 2)
parameter (maxasc = maxa * (2*maxx+1) * (2*maxy+1) * (2*maxz+1))
parameter (maxd = 3*maxa)
in your case maxa must be at least 3636 = 4 *4* 2 for example
Once you make your choice:in the terminal
./configuremakegood luck,
Karim
Le Mardi 25 août 2015 9h57, Saeed Nasiri <[email protected]> a écrit :
Dear users
I want to calculate vibration frequencies and I did the following steps:
1) opt the system
2) use the opt files for force constants matrix (is OK).
3) use fcbuild command and the following error was printed out:
fcbuild < coroneneFC.fdf
redata: System Name =
redata: System Label = coroneneFC
Number of Atoms = 36
chkdim: ERROR: In fcbuild, dimension maxa = 8. It must be at least
36
could anyone help me?
Should I use fcbuild ? is it possible to use coroneneFC.FC file directly for
vibrator?
your sincerely
Nasiri
