CBD/D4h/spin-flip/EOM-SF-CCSD/q_chem
2021-04-15 09:12:36 +02:00

13 lines
208 B
Bash
Executable File

#!/bin/bash
#SBATCH --job-name=EOM-SF-CCSD
#SBATCH --nodes=1
#SBATCH -n 8
#SBATCH -p q-chem
#SBATCH --mem=20000
#g09 cbutadiene_opt.com
qchem AVQZ/CBD_eom_sf_ccsd_avqz.inp AVQZ/CBD_eom_sf_ccsd_avqz.log