CBD/EOM-SF-CC_2_3/q_chem
2021-02-08 15:47:19 +01:00

12 lines
190 B
Bash
Executable File

#!/bin/bash
#SBATCH --job-name=EOM-CC(2,3)
#SBATCH --nodes=1
#SBATCH -n 4
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVTZ/CBD_eom_sf_cc2_3_avtz.inp AVTZ/CBD_eom_sf_cc2_3_avtz.log