Hi,
I am new using Q-Chem and I am trying to run an DC-DFT test for a simple water dimer with this input: --------------------------------------------------------------
User input:
$molecule
0 1
O -1.551007 -0.114520 0.000000
H -1.934259 0.762503 0.000000
H -0.599677 0.040712 0.000000
O 1.350625 0.111469 0.000000
H 1.680398 -0.373741 -0.758561
H 1.680398 -0.373741 0.758561
$end
$rem
JOBTYPE SP
METHOD r2SCAN
BASIS def2-QZVPPD
MBDVDW MBD_SP
MBDVDW_BETA 10000
HIRSHMOD 0
SCF_CONVERGENCE 8
THRESH 11
MEM_TOTAL 200000
GUI 2
DC_DFT TRUE
$end
But I am getting the following error in the output:Q-Chem fatal error occurred in module libmdc/newfileman.C, line 348:
FileMan error: End of file reached prematurely reading (557568) bytes in file FILE_MO_COEFS
Path: /capstor/scratch/cscs/vfontene/qchem_scratch/qchem228363/53.0
Please submit a crash report at Q-Chem Crash Reporter
Could anyone might know what is going on?
Thank you very much.