hello everyone:
I have a problem with my excitation state optimization. I do a "jobex -ex" , it can be run for about 4 cycles ,after that it stoped.
The warnning comes out "statpt.imput" , but opening that is :
this is S T A T P T
hessian and coordinate update for
stationary point search
by barbara unterreiner, marek sierka,
and reinhart ahlrichs
quantum chemistry group
universitaet karlsruhe
germany
*************** Stationary point options ******************
************************************************************
Maximum allowed trust radius: 3.000000E-01
Minimum allowed trust radius: 1.000000E-03
Initial trust radius: 1.500000E-01
GDIIS used if gradient norm < 1.000000E-02
Number of previous steps for GDIIS: 5
Hessian update method: BFGS
*** Convergence criteria ***
Threshold for energy change: 1.000000E-06
Threshold for max displacement element: 1.000000E-03
Threshold for max gradient element : 1.000000E-03
Threshold for RMS of displacement: 5.000000E-04
Threshold for RMS of gradient: 5.000000E-04
************************************************************
Number of symmetry restricted degrees of freedom: 566
Constituted by: 3 translational degrees of freedom
3 rotational degrees of freedom
560 internal degrees of freedom
.... that's over ,it cannot be the next "ATOM CARTESIAN COORDINATES".
SO I am puzzled ,because I have run for 4 cycles, and it Suddenly Stops. I need your help.
My structure is about 150 atoms ,is it too big or disk space low or some others?
Thank you very much
songk