I have a problem with calculating Transition State using NEB-TS. Here is my input file:
# ORCA input file
# B3LYP DFT calculation with STO-3G basis set for TS optimization
! B3LYP STO-3G NEB-TS Opt Freq
%neb
neb_end_xyzfile "keto.xyz"
end
* xyz 0 1
C -3.98603186062020 2.32749052231024 -0.00018529714901
C -2.78133170737179 1.56087181204556 0.00006187469523
C -1.53485769090100 2.27995228482030 0.00018458109487
N -1.60753127148660 3.63045101826785 0.00011349676981
H -0.57051491484871 1.73754058431409 0.00035037612748
O -3.99798358256491 3.66225005153691 -0.00026622982282
H -4.96606106167314 1.80310951487210 -0.00027978853931
F -2.80280838134731 0.17962388908159 0.00015455910114
H -0.68689499634773 4.13790319298241 0.00012799308035
H -2.83390453283858 3.91683712976893 -0.00026156535776
*
the xyz files for both the reactant and product is already optimized, but when i run the code, it shows this error:
[file orca_main/mainelprop.cpp, line 76]: Error: Cannot open GBW file: TS.gbw
When i search for the gbw, it was there, named:
TS_im0.gbw
TS_im1.gbw
TS_im2.gbw
TS_im3.gbw
TS_im4.gbw
TS_im5.gbw
TS_im6.gbw
TS_im7.gbw
TS_im8.gbw
TS_im9.gbw
But it has that error message, what can i do?