I tried to calculate the nonadiabatic coupling between the ground state and excited state ,but i am encountering with an error
Q-Chem fatal error occurred in module libmdc/newfileman.C, line 384:
FileMan error: End of file reached prematurely reading (272432) bytes in file FILE_SET_TMP_B_DC
Path: /home/sunandan/PCESML/SELVI/Benchmark/Non-adi-Dynamics/S0_S1/Ref1/non_dy/1211.0
I would appreciate any insights or suggestions regarding these questions. Thanks in advance
The following input are given below:
$molecule
read opt-S0.txt
$end
$rem
SPIN_FLIP true
UNRESTRICTED true
CIS_N_ROOTS 4
CIS_TRIPLETS false
SET_ITER 50
CIS_DER_NUMSTATE 2
CALC_NAC true
EXCHANGE bhhlyp
BASIS 6-31G*
$end
$derivative_coupling
1
0 1
$end