CBD/SF-TDDFT/lc_wpbe08/q_chem
2021-03-02 16:40:19 +01:00

12 lines
198 B
Bash
Executable File

#!/bin/bash
#SBATCH --job-name=SF-LC-wPBE08
#SBATCH --nodes=1
#SBATCH -n 16
#SBATCH -p q-chem
#g09 cbutadiene_opt.com
qchem AVQZ/CBD_sf_td_lc_wpbe08_avqz.inp AVQZ/CBD_sf_td_lc_wpbe08_avqz.log